SCHEMBL17009347

SCHEMBL17009347

CCCC[C@@H](NC(=O)NC(CC(=O)O)c1ccc2c(c1)OCO2)C(=O)N(Cc1cccs1)Cc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.43
GAA P10253 1/20 0.42
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
ITGB3 P05106 7/20 0.39
ITGA2B P08514 6/20 0.39
ITGAV P06756 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL6127212 1.00 POLB (0.46) POLBHPGDTRPM8GAATAS1R3
SCHEMBL6127110 1.00 POLB (0.46) POLBHPGDTRPM8GAATAS1R3
SCHEMBL4698443 1.00 POLB (0.46) POLBHPGDTRPM8GAATAS1R3
SCHEMBL6122200 1.00 POLB (0.46) POLBHPGDTRPM8GAATAS1R3
SCHEMBL20530282 1.00 POLB (0.46) POLBHPGDTRPM8GAATAS1R3
SCHEMBL4700500 0.96 POLB (0.43) POLBHPGDTRPM8GAATAS1R3
SCHEMBL7900077 0.96 HPGD (0.44) POLBHPGDTRPM8GAATAS1R3
SCHEMBL24119265 0.95 POLB (0.47) POLBHPGDTRPM8GAATAS1R3
SCHEMBL7901816 0.93 POLB (0.45) POLBHPGDTRPM8GAATAS1R3
SCHEMBL4698454 0.93 POLB (0.42) POLBHPGDTRPM8GAATAS1R3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288585-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS, LLC (US) 2018-03-07 EP disclosed
EP-3104867-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS INTERESTS, LLC (US) 2016-12-21 EP disclosed
WO-2016176400-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS LLC (US) 2016-11-03 WO disclosed
WO-2015123447-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS PHARMA, LLC (US) 2015-08-20 WO disclosed