SCHEMBL7425510

SCHEMBL7425510

C[C](C)COCC[C@@H](C)CCC=C(C)C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.59
ALDH1A1 P00352 2/20 0.55
NFE2L2 Q16236 1/20 0.43
USP2 O75604 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.38
GGPS1 O95749 2/20 0.35
FDPS P14324 2/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL8059226 0.88 ALOX15 (0.67) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL872688 0.83 ALOX15 (0.61) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL4941959 0.83 ALOX15 (0.61) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL17955374 0.82 ALOX15 (0.65) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL14581768 0.82 ALOX15 (0.65) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL4448966 0.82 ALOX15 (0.65) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL3753013 0.81 ALOX15 (0.54) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL8397532 0.80 ALOX15 (0.67) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL21300623 0.79 ALOX15 (0.60) ALOX15ALDH1A1NFE2L2USP2TDP1
SCHEMBL4941988 0.79 ALOX15 (0.56) ALOX15ALDH1A1NFE2L2USP2TDP1

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-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed