SCHEMBL9903732

SCHEMBL9903732

CC[C@]1(C(=O)O)[C@@H]2Cc3cc(OCc4c(F)ccc(-c5c(Cl)cccc5Cl)c4C)ccc3[C@H]21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 16/20 0.38
FFAR1 O14842 1/20 0.36
HPGD P15428 1/20 0.36
VDR P11473 1/20 0.35
FABP1 P07148 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL13222684 0.80 FFAR1 (0.44) NR1H4FFAR1HPGDVDRFABP1
SCHEMBL3053045 0.80 FFAR1 (0.44) NR1H4FFAR1HPGDVDRFABP1
SCHEMBL9903728 0.78 SMN1; SMN2 (0.38) NR1H4FFAR1HPGDPOLB
SCHEMBL13243314 0.76 NR1H4 (0.36) NR1H4FFAR1HPGDVDRFABP1
SCHEMBL13243700 0.76 NR1H4 (0.36) NR1H4FFAR1HPGDVDRFABP1
SCHEMBL18632583 0.65 NPC1 (0.41) FFAR1POLB
SCHEMBL29423933 0.64 FFAR1 (0.41) FFAR1
SCHEMBL9921313 0.63 HPGD (0.34) NR1H4FFAR1HPGDVDRPOLB
SCHEMBL3063569 0.63 FFAR1 (0.44) FFAR1HPGDPOLB
SCHEMBL9921259 0.63 FFAR1 (0.44) FFAR1HPGDPOLB

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