SCHEMBL31442244

SCHEMBL31442244

COc1ccc2c(c1)-c1cc(OC)ccc1C(=O)OC2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PPIA P62937 1/20 0.54
PRF1 P14222 1/20 0.53
MAOA P21397 14/20 0.52
MAOB P27338 14/20 0.52
CYP3A4 P08684 1/20 0.50

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
SCHEMBL25386546 1.00 KDM4E (0.58) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL27400600 0.93 MAOA (0.55) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL30080967 0.92 KDM4E (0.63) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL2315303 0.92 KDM4E (0.63) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL6661823 0.85 PRF1 (0.65) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL4629150 0.84 ALDH1A1 (0.68) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL29853706 0.84 MAPT (0.58) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL26767260 0.84 MAPT (0.58) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL26767992 0.82 PRF1 (0.52) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL31442224 0.81 MAPT (0.48) KDM4ENPC1ALDH1A1GAAMAPT

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
CN-119325380-A Thiolactones as additives for vinyl network degradation 麻省理工学院 2025-01-17 CN disclosed