SCHEMBL8904699

SCHEMBL8904699

Nc1ccc(C[C@H](NC(=O)COC2CCN(C(=O)OCc3ccccc3)CC2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
CYP2C19 P33261 1/20 0.51
YAP1 P46937 5/20 0.50
FOLH1 Q04609 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.45
GPR34 Q9UPC5 3/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CETP P11597 1/20 0.43
GRIN2B Q13224 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8904696 1.00 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19YAP1FOLH1NPC1
SCHEMBL8717621 0.88 YAP1 (0.47) SMN1; SMN2CYP2C19YAP1FOLH1NPC1
SCHEMBL8717617 0.88 YAP1 (0.47) SMN1; SMN2CYP2C19YAP1FOLH1NPC1
SCHEMBL77520 0.76 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL8379176 0.76 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9ACETP
SCHEMBL3898927 0.76 YAP1 (0.61) YAP1ITGB3ITGA2B
SCHEMBL9417257 0.75 POLB (0.67) SMN1; SMN2CYP2C19YAP1FOLH1NPC1
SCHEMBL13198831 0.75 SMN1; SMN2 (0.63) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL4111065 0.74 HTT (0.65) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL13677224 0.74 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B

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