SCHEMBL29159684

SCHEMBL29159684

CCC(CO)C(O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.OP(O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29159683 0.81 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7943072 0.76 GABRA1 (0.42) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30862480 0.73 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7058143 0.68 NR5A2 (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7941412 0.68 POLB (0.40) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL496787 0.67 NR5A2 (0.34) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29758819 0.67 CYP1A2 (0.32) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1100570 0.66 SMN1; SMN2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL1099783 0.66 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1074119 0.65 RXRA (0.31) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115052734-B Rotational molding composition 诺瓦化学品(国际)股份有限公司 2025-03-11 CN disclosed
CN-119371719-A Resin additive composition, thermoplastic resin composition, and molded article thereof 株式会社ADEKA 2025-01-28 CN disclosed
CN-118510756-A Compound, polymer, light stabilizer composition, resin composition, coating composition, article, sealing material, molded article, method for producing weather-resistant resin composition, and method for improving weather resistance of synthetic resin 株式会社ADEKA 2024-08-16 CN disclosed
CN-117580906-A Nucleating agent composition, resin composition, molded article thereof, and method for producing resin composition 株式会社ADEKA 2024-02-20 CN disclosed