SCHEMBL31353023

SCHEMBL31353023

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.53
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD11B1 P28845 1/20 0.43
POLB P06746 2/20 0.43
EGFR P00533 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 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
SCHEMBL31353020 0.94 MAPT (0.53) CYP1B1KMT2AMEN1NPC1RAB9A
SCHEMBL31353019 0.89 TSHR (0.50) CYP1B1KMT2AMEN1NPC1RAB9A
SCHEMBL31353022 0.85 CYP1B1 (0.53) CYP1B1KMT2AMEN1MAPTHPGD
SCHEMBL31353021 0.85 MEN1 (0.57) CYP1B1KMT2AMEN1NPC1RAB9A
SCHEMBL8885832 0.77 PAM (0.50) CYP1B1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8885838 0.77 PAM (0.50) CYP1B1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL29110151 0.77 MAPT (0.50) CYP1B1KMT2AMEN1NPC1RAB9A
SCHEMBL29110145 0.77 MAPT (0.50) CYP1B1KMT2AMEN1NPC1RAB9A
SCHEMBL16865346 0.76 MEN1 (0.49) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL16865347 0.76 MEN1 (0.49) KMT2AMEN1NPC1RAB9AMAPT

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