SCHEMBL7874488

SCHEMBL7874488

CCC(Oc1ccc(C(c2ccccc2)c2ccc(OC)cc2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.61
PPARA Q07869 9/20 0.61
SMN1; SMN2 Q16637 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.50
KLK7 P49862 1/20 0.49
ACP3 P15309 1/20 0.48
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
AKR1C1 Q04828 1/20 0.46
PTGS1 P23219 1/20 0.46
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL1745447 0.88 PPARG (0.66) PPARGPPARASMN1; SMN2TSHRAKR1C3
SCHEMBL21991991 0.88 PPARG (0.66) PPARGPPARASMN1; SMN2TSHRAKR1C3
SCHEMBL16242008 0.88 PPARG (0.66) PPARGPPARASMN1; SMN2TSHRAKR1C3
SCHEMBL9198747 0.84 PPARG (0.55) PPARGPPARASMN1; SMN2KLK7TSHR
SCHEMBL4651839 0.81 SMN1; SMN2 (0.64) PPARGPPARASMN1; SMN2TSHR
SCHEMBL295888 0.81 SMN1; SMN2 (0.64) PPARGPPARASMN1; SMN2TSHR
SCHEMBL8150263 0.80 PPARG (0.61) PPARGPPARAACP3L3MBTL1CNR2
Hydrochloric Acid SCHEMBL11617632 0.80 SMN1; SMN2 (0.62) PPARGPPARASMN1; SMN2TSHR
SCHEMBL8935922 0.79 SMN1; SMN2 (0.61) PPARGPPARASMN1; SMN2TSHR
SCHEMBL2364446 0.79 PPARG (0.69) PPARGPPARASMN1; SMN2

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-6316595-B1 PNA synthesis using a base-labile amino protecting group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-13 US disclosed
US-6121418-A PNA synthesis using a base-labile amino protecting group HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed