SCHEMBL9768522

SCHEMBL9768522

CCCCCCCCCCCCCCCC(=O)Nc1ccc(C(C)=O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
PSMB11 A5LHX3 1/20 0.54
PSMA7 O14818 1/20 0.54
PSMB1 P20618 1/20 0.54
PSMA1 P25786 1/20 0.54
PSMA2 P25787 1/20 0.54
PSMA3 P25788 1/20 0.54
PSMA4 P25789 1/20 0.54
PSMB8 P28062 1/20 0.54
PSMB9 P28065 1/20 0.54
PSMA5 P28066 1/20 0.54
PSMB4 P28070 1/20 0.54

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
SCHEMBL10593288 0.89 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6579751 0.89 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1592920 0.89 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8445092 0.89 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17614784 0.89 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8748189 0.89 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1592797 0.89 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3218403 0.89 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21998754 0.89 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8029469 0.89 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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-5032487-A Reducing agent, storage stability FUJI PHOTO FILM CO., LTD. (JP) 1991-07-16 US disclosed