SCHEMBL31353020

SCHEMBL31353020

Cc1ccc(/C=C/[C@@H](O)CC(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
CYP3A4 P08684 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 6/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1B1 Q16678 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.45
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL31353023 0.94 CYP1B1 (0.53) MAPTCYP3A4ALDH1A1HPGDKMT2A
SCHEMBL31353019 0.89 TSHR (0.50) MAPTCYP3A4ALDH1A1HPGDKMT2A
SCHEMBL29110151 0.83 MAPT (0.50) MAPTCYP3A4ALDH1A1HPGDKMT2A
SCHEMBL29110145 0.83 MAPT (0.50) MAPTCYP3A4ALDH1A1HPGDKMT2A
SCHEMBL31353022 0.79 CYP1B1 (0.53) MAPTHPGDKMT2AMEN1CYP1B1
SCHEMBL31353021 0.79 MEN1 (0.57) MAPTCYP3A4ALDH1A1KMT2ANPC1
SCHEMBL16865352 0.76 CYP2C9 (0.45) MAPTCYP3A4ALDH1A1HPGDKMT2A
SCHEMBL16865348 0.76 CYP2C9 (0.45) MAPTCYP3A4ALDH1A1HPGDKMT2A
SCHEMBL11607209 0.75 CYP3A4 (0.47) MAPTCYP3A4ALDH1A1HPGDKMT2A
SCHEMBL11607212 0.75 CYP3A4 (0.47) MAPTCYP3A4ALDH1A1HPGDKMT2A

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-119390715-A Method for catalyzing chiral boron addition reaction of alpha, beta, gamma, delta-unsaturated ketone by nano composite microsphere loaded copper material 湖北工程学院 2025-02-07 CN disclosed