SCHEMBL31296484

SCHEMBL31296484

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
GSK3B P49841 1/20 0.34
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL31296467 0.83 KDM4E (0.38) GAAALDH1A1CYP1A2CYP2C9
SCHEMBL31296464 0.82 CA12 (0.32)
SCHEMBL31296478 0.81 IDO1 (0.30)
SCHEMBL31296456 0.79
SCHEMBL31296495 0.79 MAOA (0.36) ALDH1A1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL31296486 0.79
SCHEMBL31296432 0.79 LMNA (0.33) GAALMNATSHR
SCHEMBL31296419 0.78 MEN1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31296472 0.77 SCN1A (0.37) ALDH1A1TSHRTHRATHRB
SCHEMBL23857599 0.77 MT-CO2 (0.35) GAALMNACYP3A4TSHR

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