SCHEMBL8880296

SCHEMBL8880296

O=C(O)COC1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.44
PREP P48147 3/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL8880304 1.00 POLB (0.49) POLBSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL9640983 0.85 POLB (0.56) POLBSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10595784 0.85 POLB (0.56) POLBSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5345594 0.85 POLB (0.56) POLBSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL6907072 0.85 POLB (0.52) POLBSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31662033 0.82 MEN1 (0.60) POLBSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7276440 0.82 POLB (0.50) POLBSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL8691967 0.82 POLB (0.48) POLBSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL77520 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL29059857 0.79 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658928-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS,WOUND HEALING AGENTS, OSTEOPOROSIS HOFFMANN-LA ROCHE INC. (US) 1997-08-19 US disclosed
US-5545658-A FOR TREATMENT OR PROPHYLAXIS OF ILLNESSES WHICH ARE CAUSED BY THE BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELETS AND BY BLOOD PLATELET AGGREGATION AND CELL-CELL ADHESION HOFFMAN-LA ROCHE INC. (US) 1996-08-13 US disclosed
US-5378712-A Antithrombosis Hoffmann-La Roche Inc (US) 1995-01-03 US disclosed