SCHEMBL8904332

SCHEMBL8904332

CC(=O)N(OC1CCN(C(=O)OCc2ccccc2)CC1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP2C19 P33261 1/20 0.43
BCHE P06276 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.40
ATM Q13315 1/20 0.40
GRIN2B Q13224 1/20 0.39
P2RX7 Q99572 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8904689 0.88 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL8905145 0.88 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL22589573 0.76 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19BCHE
SCHEMBL8717621 0.76 YAP1 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19BCHE
SCHEMBL8717617 0.76 YAP1 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19BCHE
SCHEMBL5724304 0.74 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19BCHE
SCHEMBL10639614 0.74 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19TDP1
SCHEMBL7228086 0.74 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL15747761 0.74 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19TDP1
SCHEMBL30415448 0.74 MAPT (0.57) SMN1; SMN2NPC1RAB9ACYP2C19BCHE

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-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed