SCHEMBL26969786

SCHEMBL26969786

CCCCC(CC)COP(O)OC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CA2 P00918 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL696932 0.86 ALDH1A1 (0.34) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL20504125 0.82 CYP3A4 (0.35) CYP3A4TSHRALDH1A1CA2L3MBTL1
SCHEMBL3112023 0.75 ALDH1A1 (0.36) CYP3A4TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL7639132 0.72 CYP3A4 (0.32) CYP3A4TSHRALDH1A1CA2L3MBTL1
SCHEMBL27945903 0.71 ALDH1A1 (0.34) CYP3A4TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL9008141 0.70 LMNA (0.39) CYP3A4TSHRALDH1A1CA2L3MBTL1
SCHEMBL28348841 0.70 CYP3A4 (0.49) CYP3A4TSHRALDH1A1CA2L3MBTL1
SCHEMBL178142 0.69 ALDH1A1 (0.50) CYP3A4TSHRALDH1A1CA2L3MBTL1
SCHEMBL9008133 0.68 ALDH1A1 (0.43) CYP3A4TSHRALDH1A1CA2L3MBTL1
SCHEMBL10497102 0.68 CYP3A4 (0.44) CYP3A4TSHRALDH1A1CA2L3MBTL1

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
US-20230415395-A1 MOLDED ARTICLE, PRODUCTION METHOD FOR LASER-MARKED MOLDED ARTICLE, AND LASER MARKING METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-12-28 US disclosed