SCHEMBL31296493

SCHEMBL31296493

COC(=O)C1(C(=O)OC)Cc2ccc(CCc3ccccc3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.46
TACR1 P25103 1/20 0.45
TACR3 P29371 1/20 0.45
ADAM17 P78536 3/20 0.39
FFAR1 O14842 1/20 0.39
HDAC1 Q13547 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
PLAAT3 P53816 2/20 0.38
PLAAT5 Q96KN8 2/20 0.38
PLAAT2 Q9NWW9 2/20 0.38
PLAAT4 Q9UL19 2/20 0.38
NAMPT P43490 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL31296474 0.82 PPARA (0.45) ALDH1A1
SCHEMBL12203632 0.78 MEN1 (0.44) MMP8KDM4EMEN1KMT2AALDH1A1
SCHEMBL7445797 0.74 MEN1 (0.45) MMP8MEN1KMT2AALDH1A1MAPT
SCHEMBL22018267 0.73 KDM4E (0.40) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL10875993 0.73 MEN1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL23856760 0.73 BRD4 (0.44) TACR1TACR3ALDH1A1CYP3A4MAPT
SCHEMBL31296472 0.73 SCN1A (0.37) TACR1TACR3ADAM17KDM4EMEN1
SCHEMBL13259420 0.71 PLK1 (0.39) ALDH1A1
SCHEMBL22400674 0.70 BACE1 (0.37) TACR1TACR3
SCHEMBL10876485 0.69 MEN1 (0.40) MMP8KDM4EMEN1KMT2AALDH1A1

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-119219681-A Method for synthesizing axial chiral organoboron compounds 合成化学暨分子生物学有限公司 2024-12-31 CN disclosed