SCHEMBL31538457

SCHEMBL31538457

Cc1ccc(COC(=O)C(C)(C)Oc2cccc(C(=O)c3ccc(Cl)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
PPARA Q07869 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
ABCB11 O95342 2/20 0.48
TSHR P16473 2/20 0.48
HTR2A P28223 2/20 0.48
PMP22 Q01453 2/20 0.48
PPARG P37231 5/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CNR1 P21554 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL28397895 0.89 PPARA (0.61) MAOBMAOAPPARACYP1A2CYP3A4
SCHEMBL3484204 0.84 PPARG (0.55) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL3741083 0.81 PPARA (0.63) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11431131 0.79 PPARA (0.62) MAOBMAOAPPARACYP1A2CYP3A4
SCHEMBL3484510 0.78 PPARG (0.54) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11388366 0.78 PPARG (0.74) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL8262007 0.78 PPARA (0.77) MAOBMAOAPPARACYP1A2CYP3A4
SCHEMBL11399949 0.76 PPARG (0.57) PPARAPPARGLMNAFABP2SLC22A12
SCHEMBL28910816 0.75 PPARA (0.53) MAOBMAOAPPARACYP1A2CYP3A4
SCHEMBL12573936 0.74 PPARA (0.86) PPARACYP1A2CYP3A4ABCB11TSHR

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
CN-119841727-A Method for directly preparing carboxylic ester compound from aromatic aldehyde, ketone and carboxylic acid 湖南第一师范学院 2025-04-18 CN disclosed