SCHEMBL2557761

SCHEMBL2557761

CCc1ccc(CC=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
CA2 P00918 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CYP2A6 P11509 1/20 0.42
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
MGLL Q99685 2/20 0.41
IDO1 P14902 2/20 0.41
PLK1 P53350 1/20 0.41
EGFR P00533 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
Propionaldehyde SCHEMBL27616242 0.86 ALDH1A1 (0.53) ALDH1A1TP53CA2TAAR1LMNA
SCHEMBL6364651 0.85 MAOB (0.40) ALDH1A1TP53LMNASMN1; SMN2TSHR
Formic Acid SCHEMBL27430708 0.80 ALDH1A1 (0.54) ALDH1A1TP53CA2TAAR1LMNA
Formamide SCHEMBL27349688 0.80 TAAR1 (0.52) ALDH1A1TP53CA2TAAR1LMNA
SCHEMBL2554463 0.79 THRB (0.48) ALDH1A1CA2MAPTLPLLIPG
SCHEMBL11739548 0.79 CYP1A2 (0.59) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL36295 0.78 TP53 (0.67) ALDH1A1TP53CA2TAAR1LMNA
SCHEMBL29443 0.78 IDO1 (0.48) ALDH1A1TP53CA2TAAR1LMNA
SCHEMBL9249830 0.78 TP53 (0.46) ALDH1A1TP53CA2TAAR1LMNA
SCHEMBL28101173 0.78 IDO1 (0.48) ALDH1A1TP53CA2TAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024018453-A1 COMPOSITIONS OF TRIAZOLE FUNGICIDES ADAMA MAKHTESHIM LTD. (IL) 2024-01-25 WO claimed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
EP-2822682-A1 MICROCAPSULES AND USES THEREOF Firmenich SA (CH) 2015-01-14 EP claimed
WO-2013079435-A1 MICROCAPSULES AND USES THEREOF FIRMENICH SA (CH) 2013-06-06 WO claimed
CN-115403459-B Preparation method of 1, 4-dicarbonyl compound 广州自远生物科技有限公司 2024-02-27 CN disclosed
WO-2024018453-A1 COMPOSITIONS OF TRIAZOLE FUNGICIDES ADAMA MAKHTESHIM LTD. (IL) 2024-01-25 WO disclosed
WO-2024013735-A1 AGROCHEMICAL COMPOSITION OF SDHI FUNGICIDES ADAMA MAKHTESHIM LTD. (IL) 2024-01-18 WO disclosed
EP-4213627-A1 STABILIZATION OF THIOKETONES ON SURFACES Bayer Aktiengesellschaft (DE) 2023-07-26 EP disclosed
EP-4096407-A1 AGROCHEMICAL COMPOSITION OF TRIAZOLES Adama Makhteshim Ltd. (IL) 2022-12-07 EP disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed
CN-1085216-A Have the diphenyl-oxazole, thiazole and the imdazole derivatives that suppress the adenosine resorption BRISTOL MYERS SQUIBB CO (US) 1994-04-13 CN disclosed
EP-0174821-A2 Methods of treating vegetable foods for animals and fragrance compositions for use therein A.B.M. CHEMICALS LIMITED (GB) 1986-03-19 EP disclosed
EP-0034430-B1 PROCESS FOR PREPARING ARYLACETALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-05 EP disclosed
US-4355184-A BY REACTING AN ALDEHYDE WITH AN ALKALI METAL SALT OF ACETOACETIC NIPPON SODA COMPANY LIMITED (JP) 1982-10-19 US disclosed
US-4338467-A IN THE PRESENCE OF A COBALT CATALYST AND A NITRILE SOLVENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-07-06 US disclosed