SCHEMBL10559751

SCHEMBL10559751

Cc1cc(C)cc(-c2c(C=O)c(C)cc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
CYP2A6 P11509 1/20 0.49
GPR84 Q9NQS5 1/20 0.39
ERN1 O75460 5/20 0.37
BRD9 Q9H8M2 1/20 0.36
BRD7 Q9NPI1 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GLO1 Q04760 1/20 0.35
MAPT P10636 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10557465 0.85 CYP1A2 (0.40) CYP1A2CYP2A6GPR84ERN1BRD9
SCHEMBL27921786 0.82 GPR84 (0.43) CYP1A2CYP2A6GPR84ERN1ALDH1A1
SCHEMBL9441677 0.82 GPR84 (0.43) CYP1A2CYP2A6GPR84ERN1ALDH1A1
SCHEMBL1666535 0.78 CYP1A2 (0.50) CYP1A2CYP2A6ERN1ALDH1A1SMN1; SMN2
SCHEMBL4609240 0.76 CYP1A2 (0.48) CYP1A2CYP2A6ERN1ALDH1A1KMT2A
Methane SCHEMBL10776483 0.74 CYP1A2 (0.47) CYP1A2CYP2A6GPR84ALDH1A1MEN1
SCHEMBL22046778 0.73 CYP1A2 (0.46) CYP1A2CYP2A6ERN1ALDH1A1KMT2A
SCHEMBL28309982 0.73 CYP1A2 (0.46) CYP1A2CYP2A6ERN1ALDH1A1KMT2A
SCHEMBL1055398 0.73 CYP1A2 (0.48) CYP1A2CYP2A6ERN1ALDH1A1SMN1; SMN2
SCHEMBL10565049 0.72 CYP1A2 (0.44) CYP1A2CYP2A6GPR84ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4804679-A INHIBIT CHOLESTEROL BIOSYNTHESIS SANDOZ PHARM. CORP. (US) 1989-02-14 US disclosed
US-4686237-A LOWERING BLOOD CHOLESTEROL LEVEL SANDOZ PHARMACEUTICALS CORP. (US) 1987-08-11 US disclosed