SCHEMBL1754891

SCHEMBL1754891

C=CC(O[C]=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ LMNA P02545 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ USP2 O75604 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP2D6 P10635 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11126131 0.80 TSHR (0.38) CYP2C19KDM4EMAPTCYP3A4ALOX15
SCHEMBL3802806 0.76 CYP2C19 (0.36) CYP2C19KDM4EMAPTCYP3A4ALOX15
SCHEMBL2488648 0.76 CYP2C19 (0.36) CYP2C19KDM4EMAPTCYP3A4ALOX15
SCHEMBL252297 0.76 CYP3A4 (0.37) CYP2C19KDM4EMAPTCYP3A4ALOX15
SCHEMBL5603510 0.75 ALDH1A1 (0.39) KDM4EMAPTCYP3A4LMNAHPGD
SCHEMBL2950286 0.74 CYP2C19 (0.35) CYP2C19KDM4EMAPTCYP3A4ALOX15
SCHEMBL11211725 0.73 CYP2D6 (0.37) CYP2C19KDM4EMAPTCYP3A4ALOX15
SCHEMBL3291158 0.72 SLC6A4 (0.39) CYP2C19KDM4EMAPTCYP3A4ALOX15
SCHEMBL17616783 0.72 CYP2C19 (0.34) CYP2C19KDM4EMAPTCYP3A4ALOX15
SCHEMBL4865335 0.72 SRD5A2 (0.42) CYP2C19KDM4EMAPTCYP3A4ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 — — EP claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 — — WO claimed
CN-115087660-A Synthetic triterpenoids with nitrogen-based substituents at C-17 and methods of use thereof 里亚塔医药公司 2022-09-20 — — CN disclosed
EP-1948643-A2 3-ALKYL-5- (4-ALKYL-5-OXO-TETRAHYDROFURAN-2-YL) PYRROLIDIN-2-ONE DERIVATIVES AS INTERMEDIATES IN THE SYNTHESIS OF RENIN INHIBITORS Novartis AG (CH) 2008-07-30 — — EP disclosed
EP-1896411-A2 PROCESS FOR PREPARING RENIN INHIBITORS Novartis AG (CH) 2008-03-12 — — EP disclosed
WO-2007045420-A2 3-ALKYL-5- (4-ALKYL-5-OXO-TETRAHYDROFUTRAN-2-YL) PYRROLIDIN-2-ONE DERIVATIVES AS INTERMEDIATES IN THE SYNTHESIS OF RENIN INHIBITORS NOVARTIS AG (CH) 2007-04-26 — — WO disclosed
WO-2006131304-A2 PROCESS FOR PREPARING RENIN INHIBITORS NOVARTIS AG (CH) 2006-12-14 — — WO disclosed
EP-0690861-A1 SUBSTITUTED HETEROANNULATED IMIDAZOLES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1996-01-10 — — EP disclosed
EP-0667861-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 — — EP disclosed
WO-1995007022-A1 FUNGICIDES ZENECA LIMITED (GB) 1995-03-16 — — WO disclosed
US-4873301-A Optically active, ethylenically unsaturated polymers of amino penicillanic acid compounds M & D RESEARCH CO., LTD. (JP) 1989-10-10 — — US disclosed
EP-0281234-A1 Optically active, ethylenically unsaturated monomers and polymers thereof M & D RESEARCH CO., LTD. (JP) 1988-09-07 — — EP disclosed
US-4721787-A CONDENSATION, REDUCTION, DEHYDRATION CIBA-GEIGY CORPORATION (US) 1988-01-26 — — US disclosed
US-4692469-A 2-BENZYL-3-(SUBSTITUTED)-PHENOXYPROPYLAMINES; APPETITE SUPRESSANTS CIBA-GEIGY CORPORATION (US) 1987-09-08 — — US disclosed
US-4604397-A Certain benzo-(pyrano and thiopyrano)-pyridines, useful as CNS agents CIBA-GEIGY CORPORATION (US) 1986-08-05 — — US disclosed
US-4588746-A Propylamine derivatives CIBA-GEIGY CORPORATION (US) 1986-05-13 — — US disclosed
US-4500472-A CYCLIZATION, DEHYDRATION OF 1-(2-IMIDAZO-2-YLTHIO) PHENYLIMINO THIOCARBONYL) PIPERAZINE) CIBA-GEIGY CORPORATION (US) 1985-02-19 — — US disclosed
US-4477379-A NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1984-10-16 — — US disclosed
US-4444688-A NEUROLEPTICS CIBA-GEIGY CORPORATION (US) 1984-04-24 — — US disclosed
US-4391808-A NEUROLEPTIC AND ANTIPSYCHOTIC AGENTS CIBA-GEIGY CORPORATION (US) 1983-07-05 — — US disclosed
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