SCHEMBL31540353

SCHEMBL31540353

CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1c(O)cc2c(c1O)CNC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 6/20 0.43
▸ TDP1 Q9NUW8 5/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ BACE1 P56817 2/20 0.43
▸ PTGES O14684 3/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ MAPT P10636 3/20 0.41

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
SCHEMBL31540354 1.00 ALOX15 (0.43) ALOX15TDP1CYP3A4KDM4EALDH1A1
SCHEMBL29861961 0.75 PPARG (0.48) BACE1APP
SCHEMBL29861927 0.75 PPARG (0.48) BACE1APP
SCHEMBL30096370 0.75 PPARG (0.48) BACE1APP
SCHEMBL30190271 0.71 ALOX5 (0.46) BACE1PTGESAPP
SCHEMBL24619670 0.71 APP (0.34) BACE1APP
SCHEMBL21538203 0.70 ALOX5 (0.52) —
SCHEMBL30678564 0.70 APP (0.38) BACE1APP
SCHEMBL2624846 0.70 APP (0.38) BACE1APP
SCHEMBL24183149 0.67 ALOX15 (0.58) ALOX15TDP1CYP3A4KDM4EALDH1A1

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-2025101762-A1 METHODS FOR IDENTIFICATION OF COMPOUND INTERACTION PARTNERS AND COMPOUNDS PRODUCED BY GENE CLUSTERS HEXAGON BIO, INC. (US) 2025-05-15 — — WO disclosed
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