SCHEMBL9740875

SCHEMBL9740875

CC(C)CC1NC(=O)OC1c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADORA2B P29275 2/20 0.39
ALOX12 P18054 1/20 0.36
HPGD P15428 1/20 0.35
PKM P14618 2/20 0.34
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7319314 1.00 KDM4E (0.39) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7319306 1.00 KDM4E (0.39) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9272467 0.76 GRM5 (0.41) ALDH1A1HTTLMNA
SCHEMBL9798245 0.76 GRM5 (0.41) ALDH1A1HTTLMNA
SCHEMBL11105312 0.75 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL10244414 0.75 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL11105319 0.75 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7361609 0.74 ADORA2B (0.38) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7361604 0.74 ADORA2B (0.38) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7321057 0.74 ADORA2B (0.38) KDM4EHSD17B10ALDH1A1MEN1KMT2A

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-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed