SCHEMBL10575779

SCHEMBL10575779

COCN1C(=O)NC2(C1=O)c1ccccc1-c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.55
ITGA4 P13612 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 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
SCHEMBL10575696 0.83 AKR1B1 (0.54) AKR1B1ITGA4NPC1POLB
SCHEMBL11278773 0.81 POLB (0.61) NPC1POLBLMNA
SCHEMBL3667328 0.70 ITGA4 (0.50) AKR1B1ITGA4
SCHEMBL10441170 0.69 ALDH1A1 (0.50) NPC1
SCHEMBL7854954 0.69 POLB (0.53) NPC1POLB
SCHEMBL4543280 0.68 NPC1 (0.43) AKR1B1NPC1POLBLMNA
SCHEMBL13241881 0.68 POLB (0.63) POLBLMNA
SCHEMBL3885046 0.67 ALDH1A1 (0.43) NPC1
SCHEMBL6036357 0.67 POLB (0.55) NPC1POLB
SCHEMBL1725500 0.67 POLB (0.55) NPC1POLB

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-4853401-A Spiro-hydantoins as aldose reductase inhibitors G. D. SEARLE & CO. (US) 1989-08-01 US disclosed