SCHEMBL9636859

SCHEMBL9636859

CCc1cc(Cc2cc(CC)c(O)cc2C(C)(C)C)c(C(C)(C)C)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 2/20 0.52
▸ ALOX15 P16050 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ATP2A2 P16615 1/20 0.50
▸ ATP2A3 Q93084 1/20 0.50
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ESR1 P03372 3/20 0.41
▸ ESR2 Q92731 3/20 0.41
▸ LMNA P02545 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL9175866 0.94 HSPA5 (0.50) HSPA5ALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3628725 0.83 ALOX15 (0.68) HSPA5ALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27742431 0.82 ALOX15 (0.45) HSPA5ALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16736796 0.82 ALOX15 (0.48) HSPA5ALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8670928 0.81 ALDH1A1 (0.65) HSPA5ALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9054498 0.80 SMN1; SMN2 (0.56) HSPA5ALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16736913 0.80 SMN1; SMN2 (0.46) HSPA5ALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16736855 0.80 ALOX15 (0.46) HSPA5ALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9154600 0.79 ALOX15 (0.50) HSPA5ALOX15ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12733114 0.78 ALOX15 (0.68) HSPA5ALOX15ALDH1A1SMN1; SMN2KDM4E

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-5173562-A Moldability, shrink resistance, oxidation resistance CHISSO AMERICA INC. (US) 1992-12-22 — — US disclosed
Send feedback