SCHEMBL9910120

SCHEMBL9910120

CCc1oc(-c2ccc(C=O)cc2)nc1CCO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.43
PPARA Q07869 7/20 0.43
TARBP2 Q15633 7/20 0.38
PPARD Q03181 1/20 0.37
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.32
PDCD4 Q53EL6 1/20 0.32

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
SCHEMBL9910339 0.83 ESR2 (0.46) PPARGPPARATARBP2PPARDRAB9A
SCHEMBL18095717 0.83 PPARG (0.46) PPARGPPARATARBP2PPARDKDM4E
SCHEMBL18095687 0.83 PPARG (0.54) PPARGPPARATARBP2PPARDKDM4E
SCHEMBL6608776 0.82 PPARG (0.42) PPARGPPARATARBP2PPARDRAB9A
SCHEMBL6603331 0.81 PPARA (0.47) PPARGPPARATARBP2PPARDKDM4E
SCHEMBL18103290 0.80 TARBP2 (0.56) PPARGPPARATARBP2PPARDKDM4E
SCHEMBL4478993 0.78 PPARG (0.44) PPARGPPARAPPARDKDM4EHSD17B10
Cuminaldehyde SCHEMBL3978618 0.76 TYR (0.45) PPARGPPARATARBP2PPARDKDM4E
SCHEMBL4065595 0.75 PPARG (0.44) PPARGPPARATARBP2PPARDKDM4E
SCHEMBL6607542 0.74 PPARG (0.46) PPARGPPARATARBP2PPARDRAB9A

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
WO-2012074980-A2 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISORDERS AND LIVER DISORDERS USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2012-06-07 WO disclosed