SCHEMBL9590308

SCHEMBL9590308

CC(C)(Oc1ccc(Cl)cc1)C(=O)Br

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.70
CYP1A2 P05177 5/20 0.70
CYP3A4 P08684 5/20 0.70
CYP2C19 P33261 4/20 0.70
MAPT P10636 4/20 0.70
MEN1 O00255 2/20 0.70
CYP2D6 P10635 2/20 0.70
KMT2A Q03164 2/20 0.70
PPARG P37231 4/20 0.60
ABCB11 O95342 2/20 0.60
TSHR P16473 2/20 0.60
HTR2A P28223 2/20 0.60
PMP22 Q01453 2/20 0.60
FABP2 P12104 2/20 0.60
SLC22A12 Q96S37 1/20 0.60
ALDH1A1 P00352 5/20 0.53
CYP2C9 P11712 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
USP2 O75604 2/20 0.53
LMNA P02545 2/20 0.53

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
Clofibric Acid SCHEMBL2227936 0.82 PPARA (1.00) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL135713 0.82 PPARA (0.72) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL10867374 0.82 PPARA (0.72) PPARACYP1A2CYP3A4CYP2C19MAPT
Clofibric Acid SCHEMBL102826 0.82 PPARA (1.00) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL9372364 0.82 PPARA (0.72) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL6157344 0.81 PPARA (0.70) PPARACYP1A2CYP3A4CYP2C19MAPT
Clofibric Acid SCHEMBL10634899 0.81 PPARA (0.96) PPARACYP1A2CYP3A4CYP2C19MAPT
Clofibric Acid SCHEMBL11798234 0.81 PPARA (0.96) PPARACYP1A2CYP3A4CYP2C19MAPT
Clofibric Acid SCHEMBL11798397 0.81 PPARA (0.96) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL626124 0.81 PPARA (0.70) PPARACYP1A2CYP3A4CYP2C19MAPT

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-5200549-A Anticholesterol agents HOFFMAN-LA ROCHE INC. (US) 1993-04-06 US disclosed
US-5073568-A Treating skin disorder; anticholesterol agent HOFFMANN-LA ROCHE INC. (US) 1991-12-17 US disclosed