SCHEMBL9921259

SCHEMBL9921259

Cc1c(I)ccc(F)c1COc1ccc2c(c1)C[C@H]1C(C(=O)O)[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.44
HPGD P15428 1/20 0.36
CD274 Q9NZQ7 7/20 0.33
ANO1 Q5XXA6 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
SCN3A Q9NY46 1/20 0.32
POLB P06746 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
SCHEMBL3063569 1.00 FFAR1 (0.44) FFAR1HPGDCD274ANO1MRGPRX4
SCHEMBL13222719 0.90 FFAR1 (0.36) FFAR1HPGDCD274FFAR4SCN3A
SCHEMBL3053045 0.83 FFAR1 (0.44) FFAR1HPGDPOLB
SCHEMBL13222684 0.83 FFAR1 (0.44) FFAR1HPGDPOLB
SCHEMBL18940278 0.82 FFAR1 (0.41) FFAR1HPGDFFAR4SCN3APOLB
SCHEMBL18940277 0.77 FFAR1 (0.42) FFAR1HPGDANO1FFAR4SCN3A
SCHEMBL18940272 0.77 FFAR1 (0.46) FFAR1SCN3A
SCHEMBL18940279 0.77 FFAR1 (0.46) FFAR1SCN3A
SCHEMBL9903728 0.75 SMN1; SMN2 (0.38) FFAR1HPGDPOLB
SCHEMBL29423934 0.74 FFAR1 (0.35) FFAR1HPGDFFAR4POLB

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
EP-2215068-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed