SCHEMBL28375348

SCHEMBL28375348

CCOC(=O)CC(N)c1ccc(-c2cccc(Cl)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.47
MAPT P10636 3/20 0.44
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
MMEL1 Q495T6 1/20 0.41
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
C3AR1 Q16581 1/20 0.38
TP53 P04637 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL30541239 1.00 TRPM8 (0.47) TRPM8MAPTHSD17B1HSD17B2MMEL1
SCHEMBL30541357 0.88 FFAR1 (0.48) TRPM8MAPTALDH1A1HPGDRAB9A
SCHEMBL28372580 0.88 FFAR1 (0.48) TRPM8MAPTALDH1A1HPGDRAB9A
SCHEMBL30671470 0.86 TRPM8 (0.47) TRPM8MAPTHSD17B1HSD17B2ALDH1A1
SCHEMBL28372542 0.85 ALDH1A1 (0.47) MAPTHSD17B1HSD17B2CNR1ALDH1A1
SCHEMBL30541264 0.85 ALDH1A1 (0.47) MAPTHSD17B1HSD17B2CNR1ALDH1A1
SCHEMBL20546257 0.83 FFAR1 (0.48) HSD17B1HSD17B2MMEL1CNR1C3AR1
SCHEMBL20546255 0.83 FFAR1 (0.48) HSD17B1HSD17B2MMEL1CNR1C3AR1
SCHEMBL28368796 0.83 POLB (0.41) MAPTALDH1A1HPGDRAB9AKMT2A
SCHEMBL30671476 0.83 POLB (0.41) MAPTALDH1A1HPGDRAB9AKMT2A

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
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 CN disclosed
CN-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed