SCHEMBL6689787

SCHEMBL6689787

C/C=C\COc1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP2A6 P11509 2/20 0.50
▸ ALDH1A3 P47895 2/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ RAB9A P51151 1/20 0.42
▸ STS P08842 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH3A1 P30838 1/20 0.38

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
SCHEMBL8545747 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8545975 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8545742 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL28529733 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL9860949 0.82 ALDH1A1 (0.55) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL9860945 0.82 ALDH1A1 (0.55) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL25192419 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL7190568 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL7190561 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8027229 0.81 CHRNB2 (0.49) ALDH1A1MAPTLMNAKDM4ERAB9A

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
WO-2004113266-A1 DERIVATIVES OF PHENYLALKYL AND PHENOXYALKYL ACIDS FOR THE TREATMENT OF THE HYPERGLYCAEMIA AND HYPERTRIGLYCERIDAEMIA AND TYPE 2 DIABETES AND PROCESS FOR PREPARING THEM SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-12-29 — — WO disclosed
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