SCHEMBL3236680

SCHEMBL3236680

CCOC(C(=O)O)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL16589375 0.83 FFAR1 (0.45) FFAR1PPARGPPARA
SCHEMBL17724503 0.82 KDM4E (0.60) KDM4EHDAC4HDAC7HDAC5CNR2
SCHEMBL17653645 0.81 PPARA (0.49) PPARGPPARALMNA
SCHEMBL2553482 0.81 PPARA (0.49) PPARGPPARALMNA
SCHEMBL6504745 0.81 PPARA (0.49) PPARGPPARALMNA
SCHEMBL758770 0.81 CPN1 (0.53) PPARGPPARALMNA
SCHEMBL6391032 0.81 HDAC4 (0.41) KDM4EHDAC4HDAC7HDAC5CNR2
SCHEMBL17295988 0.81 GLS (0.42) FFAR1MEN1KMT2APPARGPPARA
SCHEMBL24327731 0.80 HPGD (0.49) MEN1KMT2APPARGPPARALMNA
SCHEMBL17295981 0.80 HPGD (0.49) MEN1KMT2APPARGPPARALMNA

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-2010015588-A1 BENZYL-SUBSTITUTED TETRACYCLIC HETEROCYCLIC COMPOUNDS NYCOMED GMBH (DE) 2010-02-11 — — WO disclosed
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