SCHEMBL11639892

SCHEMBL11639892

CCOC(=O)C(Oc1ccc(C(C)(C)C)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 2/20 0.42
ABCB11 O95342 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
PPARA Q07869 1/20 0.42
PPARG P37231 5/20 0.41
SLC22A12 Q96S37 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
HSP90AA1 P07900 1/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 2/20 0.38
OPRK1 P41145 1/20 0.37

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
SCHEMBL11642266 0.92 PPARA (0.43) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL11640419 0.90 PPARG (0.49) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL11566782 0.90 PPARA (0.45) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL11568279 0.88 POLB (0.42) CYP1A2PPARGSLC22A12ALDH1A1MAPT
SCHEMBL11640145 0.86 PPARG (0.43) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL11597726 0.84 PPARA (0.40) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL11637342 0.83 KMT2A (0.43) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL14497800 0.80 LMNA (0.51) PPARAALDH1A1MAPTLMNANPSR1
SCHEMBL11564169 0.80 PPARA (0.46) CYP1A2CYP3A4ABCB11TSHRHTR2A
SCHEMBL11642190 0.80 BCL2L1 (0.44) CYP1A2CYP3A4TSHRALDH1A1MAPT

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-4125729-A Hypolipemic α-aryloxy para substituted phenyl acetic acid compounds AMERICAN CYANAMID COMPANY (US) 1978-11-14 US disclosed