SCHEMBL31353022

SCHEMBL31353022

O=C(C[C@H](O)/C=C/c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.53
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
PDPK1 O15530 1/20 0.47
MAOB P27338 1/20 0.45
HSD11B1 P28845 2/20 0.44
MMP2 P08253 4/20 0.44
MMP9 P14780 4/20 0.44
MMP3 P08254 3/20 0.44
MMP13 P45452 2/20 0.44
MMP1 P03956 2/20 0.44
MMP8 P22894 1/20 0.44
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
EGFR P00533 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
SCHEMBL31353019 0.89 TSHR (0.50) CYP1B1MAPTL3MBTL1MAOBKMT2A
SCHEMBL31353023 0.85 CYP1B1 (0.53) CYP1B1MAPTL3MBTL1HSD11B1MMP2
SCHEMBL31353021 0.82 MEN1 (0.57) CYP1B1MAPTL3MBTL1MAOBHSD11B1
SCHEMBL16859619 0.80 CYP1A2 (0.47) CYP1B1MAPTMAOBPOLBKMT2A
SCHEMBL16859620 0.80 CYP1A2 (0.47) CYP1B1MAPTMAOBPOLBKMT2A
SCHEMBL31353020 0.79 MAPT (0.53) CYP1B1MAPTKMT2AMEN1HPGD
SCHEMBL8885832 0.77 PAM (0.50) CYP1B1MAPTMAOB
SCHEMBL8885838 0.77 PAM (0.50) CYP1B1MAPTMAOB
SCHEMBL27957175 0.75 CYP1B1 (0.58) CYP1B1MAPTL3MBTL1MAOBHSD11B1
SCHEMBL29110668 0.73 PDPK1 (0.60) MAPTL3MBTL1PDPK1HSD11B1MMP2

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