SCHEMBL9850438

SCHEMBL9850438

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

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.61
SGMS1 Q86VZ5 11/20 0.58
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
AKR1C3 P42330 1/20 0.48

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
SCHEMBL9850329 0.91 SGMS1 (0.59) HSD17B10SGMS1AKR1C3
SCHEMBL9850603 0.91 SGMS1 (0.59) HSD17B10SGMS1AKR1C3
SCHEMBL9128686 0.85 TBXA2R (0.62) SGMS1ALDH1A1AKR1C3
SCHEMBL9131783 0.84 SGMS1 (0.58) SGMS1AKR1C3
SCHEMBL9850465 0.81 SGMS1 (0.58) SGMS1KDM4EALDH1A1SMN1; SMN2AKR1C3
SCHEMBL9850395 0.81 SGMS1 (0.55) HSD17B10SGMS1
SCHEMBL9850614 0.81 TBXA2R (0.69) SGMS1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9850373 0.81 TBXA2R (0.69) SGMS1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9850521 0.80 SGMS1 (0.60) SGMS1
SCHEMBL9850586 0.79 SGMS1 (0.56) HSD17B10SGMS1AKR1C3

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