SCHEMBL11538993

SCHEMBL11538993

CC(C)(Sc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC22A12 Q96S37 3/20 0.45
PPARG P37231 3/20 0.45
FABP2 P12104 1/20 0.45
TBXAS1 P24557 2/20 0.44
ALDH1A1 P00352 1/20 0.41
ELANE P08246 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL4398676 0.90 PPARA (0.51) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL11539611 0.85 SLC22A12 (0.48) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL11541549 0.81 CYP1A2 (0.57) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4192083 0.81 PPARA (0.59) PPARAKMT2APPARGTBXAS1
SCHEMBL7302773 0.80 ALDH1A1 (0.45) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL14309703 0.80 SLC22A12 (0.54) PPARACYP1A2MAPTSLC22A12PPARG
SCHEMBL13945735 0.79 MAOA (0.47) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7298915 0.77 ALDH1A1 (0.49) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL11540004 0.75 MAOA (0.40) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9320807 0.75 PPARA (0.89) PPARAMEN1CYP1A2CYP3A4CYP2D6

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-4156011-A TREATMENT OF CARDIOVASCULAR DISORDERS SOCIETE ANONYME DITE: LABORATOIRE L. LAFON (FR) 1979-05-22 US disclosed