SCHEMBL7424445

SCHEMBL7424445

O=C(O)c1cc(Cl)cc2c1O[C@H]1CCC[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 1/20 0.36
SERPINE1 P05121 2/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
CYP3A4 P08684 1/20 0.34
PTGDR2 Q9Y5Y4 5/20 0.34
PTGDR Q13258 3/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
ACMSD Q8TDX5 2/20 0.33
DYRK1A Q13627 1/20 0.33
PTGER2 P43116 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL7410883 1.00 HSD17B10 (0.36) HSD17B10KDM4ESERPINE1AKR1C4AKR1C3
SCHEMBL7413425 1.00 HSD17B10 (0.36) HSD17B10KDM4ESERPINE1AKR1C4AKR1C3
SCHEMBL7414700 0.84 SLC6A3 (0.38) HSD17B10KDM4EPTGDR2PTGDRALDH1A1
SCHEMBL7414698 0.84 SLC6A3 (0.38) HSD17B10KDM4EPTGDR2PTGDRALDH1A1
SCHEMBL7416434 0.81 MAPT (0.34) HSD17B10KDM4ESERPINE1AKR1C4AKR1C3
SCHEMBL9509212 0.77 CYP2C9 (0.39) KDM4EPTGDR2MAPTACMSDALDH1A1
SCHEMBL7418984 0.77 CYP2C9 (0.39) KDM4EPTGDR2MAPTACMSDALDH1A1
SCHEMBL7423284 0.76 HSD11B1 (0.36) MAPTTSHRACMSDGAA
SCHEMBL9509199 0.75 HTR3A (0.58) CYP3A4TSHRALDH1A1
SCHEMBL7312354 0.73 HSD17B10 (0.37) HSD17B10KDM4ESERPINE1AKR1C4AKR1C3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994871-A4 NOVEL SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2002-01-02 EP disclosed
EP-0994871-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2000-04-26 EP disclosed
WO-1998055477-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1998-12-10 WO disclosed
US-5288731-A Antiemetics, antiserotonine agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-02-22 US disclosed
EP-0559656-A1 PROCESS FOR PREPARING MULTICYCLIC OXY-CONTAINING RING COMPONENTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1993-09-15 EP disclosed
WO-1992009592-A1 PROCESS FOR PREPARING MULTICYCLIC OXY-CONTAINING RING COMPONENTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-06-11 WO disclosed
WO-1992009284-A1 2,6-METHANO-2H-1-BENZOXOCINCARBOXAMIDES AS 5-HT3-ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-06-11 WO disclosed