SCHEMBL8936231

SCHEMBL8936231

CCC(c1ccccc1)C(N)(CCCP(=O)(O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
SRC P12931 1/20 0.36
ACP3 P15309 1/20 0.35
ANPEP P15144 1/20 0.35
OPRD1 P41143 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
SCHEMBL15918883 0.73 GRM2 (0.38) OPRD1
SCHEMBL1809439 0.72 ALDH1A1 (0.39) SRCACP3ANPEPOPRD1
SCHEMBL7892965 0.71 NPSR1 (0.39)
SCHEMBL5425825 0.70 LMNA (0.42) OPRD1
SCHEMBL7303556 0.70 KIF11 (0.43)
SCHEMBL7303566 0.70 KIF11 (0.43)
SCHEMBL14478313 0.68 ARG1 (0.61) ENPP2ANPEP
Propionic Acid SCHEMBL8368277 0.68 SRC (0.38) SRCACP3ANPEPOPRD1
SCHEMBL21632771 0.67 CYP1A2 (0.44) OPRD1
SCHEMBL584901 0.67 HSD17B10 (0.58) SRC

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
US-5510338-A ADMINISTERING TO A MAMMAL TO RELIEVE PAIN AND TO TREAT CONVULSIONS, CEREBRAL ISCHEMIC DAMAGE, AND EMESIS GUILFORD PHARMACEUTICALS INC. (US) 1996-04-23 US disclosed