SCHEMBL5534715

SCHEMBL5534715

CCN(C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)OCC(C(=O)O)(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.41
DHFR P00374 2/20 0.40
LTB4R2 Q9NPC1 7/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
MTTP P55157 4/20 0.38
TP53 P04637 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
SCHEMBL3734325 0.92 DHFR (0.42) TACR1DHFRLTB4R2PPARGPPARA
SCHEMBL3723612 0.83 TACR1 (0.41) TACR1DHFRLTB4R2PPARGPPARA
SCHEMBL3726515 0.81 DHFR (0.39) TACR1DHFRLTB4R2PPARGPPARA
SCHEMBL5528942 0.80 MTTP (0.49) MTTP
SCHEMBL3723552 0.78 ENPP2 (0.41) TACR1DHFRLTB4R2PPARGPPARA
SCHEMBL3722394 0.78 TACR1 (0.46) TACR1DHFRLTB4R2PPARGPPARA
SCHEMBL2761443 0.77 MTTP (0.45) PPARGPPARAMTTP
SCHEMBL3739091 0.76 MTTP (0.46) MTTP
SCHEMBL3725953 0.75 PDCD1 (0.40) DHFRPPARGPPARAMTTPTP53
SCHEMBL5734190 0.75 MTTP (0.48) MTTP

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-1806149-A1 SOLID MEDICINAL PREPARATION IMPROVED IN SOLUBILITY AND STABILITY AND PROCESS FOR PRODUCING THE SAME Japan Tobacco, Inc. (JP) 2007-07-11 EP claimed
EP-1806149-A1 SOLID MEDICINAL PREPARATION IMPROVED IN SOLUBILITY AND STABILITY AND PROCESS FOR PRODUCING THE SAME Japan Tobacco, Inc. (JP) 2007-07-11 EP disclosed