SCHEMBL20053889

SCHEMBL20053889

C=C/C(C)=C/C=C(\C)COc1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ESR1 P03372 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ MMP2 P08253 4/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAOB P27338 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL20053879 0.79 ALDH1A1 (0.45) ALDH1A1MAPTESR1CYP1A2CYP3A4
SCHEMBL17615977 0.75 MMP2 (0.51) ALDH1A1MAPTHPGDMMP2MMP3
SCHEMBL14548246 0.75 MMP2 (0.51) ALDH1A1MAPTHPGDMMP2MMP3
SCHEMBL4770909 0.74 ALDH1A1 (0.53) ALDH1A1MAPTESR1CYP1A2CYP3A4
SCHEMBL22357156 0.73 CA2 (0.39) ALDH1A1MAPTMMP3KMT2A
SCHEMBL19969873 0.72 ALDH1A1 (0.39) ALDH1A1MAPTESR1CYP1A2CYP3A4
SCHEMBL8190492 0.72 ALDH1A1 (0.44) ALDH1A1MAPTESR1CYP1A2CYP3A4
SCHEMBL8190496 0.72 ALDH1A1 (0.44) ALDH1A1MAPTESR1CYP1A2CYP3A4
SCHEMBL3372818 0.71 MAPT (0.62) ALDH1A1MAPTESR1CYP1A2CYP3A4
SCHEMBL2607375 0.70 MMP2 (0.55) ALDH1A1MAPTHPGDMMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3309145-A1 MARINE PERIPHYTON REPELLENT COMPOSITION Basseru Chemical Co., Ltd. (JP) 2018-04-18 — — EP disclosed
Send feedback