SCHEMBL7955769

SCHEMBL7955769

CCCC[C@H](NC(=O)N[C@@H](CC(=O)O)c1ccc2c(c1)OCO2)C(=O)NCc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.42
CTSK P43235 2/20 0.42
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ITGB3 P05106 5/20 0.40
ITGA2B P08514 4/20 0.40
ITGAV P06756 2/20 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
SCHEMBL17009347 0.86 POLB (0.46) HPGDPOLBSMN1; SMN2NPC1TP53
SCHEMBL6127110 0.86 POLB (0.46) HPGDPOLBSMN1; SMN2NPC1TP53
SCHEMBL6122200 0.86 POLB (0.46) HPGDPOLBSMN1; SMN2NPC1TP53
SCHEMBL4698443 0.86 POLB (0.46) HPGDPOLBSMN1; SMN2NPC1TP53
SCHEMBL20530282 0.86 POLB (0.46) HPGDPOLBSMN1; SMN2NPC1TP53
SCHEMBL6127212 0.86 POLB (0.46) HPGDPOLBSMN1; SMN2NPC1TP53
SCHEMBL7901816 0.85 POLB (0.45) HPGDPOLBSMN1; SMN2NPC1TP53
SCHEMBL2357742 0.84 FOLH1 (0.47) HPGDPOLBSMN1; SMN2NPC1TP53
SCHEMBL7900077 0.84 HPGD (0.44) HPGDPOLBSMN1; SMN2NPC1TP53
SCHEMBL6127104 0.83 POLB (0.46) HPGDPOLBSMN1; SMN2NPC1RAB9A

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
US-6262084-B1 Compounds that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION 2001-07-17 US claimed
US-6262084-B1 Compounds that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION 2001-07-17 US disclosed