SCHEMBL5550583

SCHEMBL5550583

ONCc1cccc(-c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.64
IDO1 P14902 1/20 0.64
AOC3 Q16853 2/20 0.57
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
AGXT P21549 1/20 0.50
ERAP2 Q6P179 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
LNPEP Q9UIQ6 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
NOS1 P29475 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
ALOX12 P18054 1/20 0.46
GGPS1 O95749 2/20 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
SCHEMBL17760435 0.81 AOC3 (0.54) THRBIDO1AOC3FFAR1FFAR4
SCHEMBL22000113 0.81 BCHE (0.55) AOC3FFAR1FFAR4KDM1AMAOA
SCHEMBL5551654 0.80 THRB (0.73) THRBIDO1FFAR1FFAR4ALDH1A1
SCHEMBL208455 0.79
SCHEMBL18664427 0.79 AOC3 (0.53) AOC3FFAR1FFAR4KDM1AMAOA
SCHEMBL6895474 0.79 AOC3 (0.53) AOC3FFAR1FFAR4KDM1AMAOA
SCHEMBL6895476 0.79 AOC3 (0.53) AOC3FFAR1FFAR4KDM1AMAOA
SCHEMBL21507984 0.79 AOC3 (0.53) AOC3FFAR1FFAR4KDM1AMAOA
SCHEMBL17251747 0.79 IDO1 (0.64) IDO1AOC3FFAR1FFAR4KDM1A
SCHEMBL1252083 0.79 PRMT6 (0.73) AOC3FFAR1FFAR4KDM1AMAOA

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
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed