SCHEMBL9850465

SCHEMBL9850465

CCOC(=O)[C@H](C)NC(=O)COc1cccc(CCNS(=O)(=O)c2ccc(OC)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SGMS1 Q86VZ5 8/20 0.58
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.52
AKR1C3 P42330 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL9850395 0.91 SGMS1 (0.55) SGMS1
SCHEMBL9850438 0.81 HSD17B10 (0.61) SGMS1ALDH1A1AKR1C3SMN1; SMN2KDM4E
SCHEMBL9850329 0.81 SGMS1 (0.59) SGMS1AKR1C3
SCHEMBL9850603 0.81 SGMS1 (0.59) SGMS1AKR1C3
SCHEMBL14688306 0.76 HDAC1 (0.51) ALDH1A1POLBL3MBTL1
SCHEMBL9850586 0.76 SGMS1 (0.56) SGMS1AKR1C3
SCHEMBL11379124 0.75 ALDH1A1 (0.68) SGMS1ALDH1A1POLBSMN1; SMN2CYP2C19
SCHEMBL9129388 0.75 TBXA2R (0.62) SGMS1ALDH1A1AKR1C3L3MBTL1
SCHEMBL9130577 0.75 SGMS1 (0.64) SGMS1
SCHEMBL9850521 0.75 SGMS1 (0.60) SGMS1

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
EP-0435085-A1 Phenoxyalkylcarboxylic amides, process for their preparation and drug containing them Roche Diagnostics GmbH (DE) 1991-07-03 EP disclosed