SCHEMBL9910339

SCHEMBL9910339

CCc1oc(-c2ccc(O)cc2)nc1CCO

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 12/20 0.46
ESR1 P03372 11/20 0.46
PPARA Q07869 6/20 0.43
PPARG P37231 5/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TARBP2 Q15633 1/20 0.39
PPARD Q03181 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL18095717 0.88 PPARG (0.46) PPARAPPARGNPC1RAB9ATARBP2
SCHEMBL18095687 0.88 PPARG (0.54) PPARAPPARGNPC1RAB9ATARBP2
SCHEMBL6608776 0.87 PPARG (0.42) PPARAPPARGNPC1RAB9ATARBP2
SCHEMBL6603331 0.86 PPARA (0.47) PPARAPPARGNPC1RAB9ATARBP2
SCHEMBL18103290 0.84 TARBP2 (0.56) PPARAPPARGNPC1RAB9ATARBP2
SCHEMBL4478993 0.83 PPARG (0.44) PPARAPPARGPPARD
SCHEMBL9910120 0.83 PPARG (0.43) ESR2ESR1PPARAPPARGNPC1
SCHEMBL4065595 0.80 PPARG (0.44) PPARAPPARGTARBP2PPARDHDAC6
SCHEMBL6607542 0.78 PPARG (0.46) PPARAPPARGNPC1RAB9ATARBP2
SCHEMBL6604633 0.78 PPARG (0.47) PPARAPPARGNPC1RAB9ATARBP2

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