SCHEMBL31296498

SCHEMBL31296498

COC(=O)C1(C(=O)OC)Cc2c(C)cc(-c3ccccc3)c(C)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTGS1 P23219 1/20 0.37
ESR2 Q92731 1/20 0.36
HTT P42858 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SQOR Q9Y6N5 1/20 0.35
EGFR P00533 1/20 0.35
EPHX1 P07099 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL31296464 0.79 CA12 (0.32) MAPT
SCHEMBL31296472 0.77 SCN1A (0.37) PTGS1HTTMEN1KMT2AALDH1A1
SCHEMBL31296425 0.77 POLB (0.36) PTGS1HTTEGFRLMNAALDH1A1
SCHEMBL23857599 0.77 MT-CO2 (0.35) LMNAMAPTTDP1CYP3A4
SCHEMBL31296468 0.76 MEN1 (0.36) HTTMEN1KMT2ALMNAALDH1A1
SCHEMBL30253323 0.76 MT-CO2 (0.34) LMNAMAPTCYP3A4
SCHEMBL31296414 0.75 CHRM3 (0.39) PPARACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31296427 0.74 PSMB5 (0.36) MAPT
SCHEMBL31296432 0.73 LMNA (0.33) LMNAMAPT
SCHEMBL31296467 0.72 KDM4E (0.38) ALDH1A1MAPTTDP1CYP1A2CYP2C9

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