SCHEMBL7529286

SCHEMBL7529286

CNC(=O)O.Cc1ccc(N(C)C(=O)O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
POLB P06746 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 3/20 0.36

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
SCHEMBL585950 0.93 ALDH1A1 (0.46) ALDH1A1MAPTGPBAR1HSD17B1HSD17B2
SCHEMBL7873316 0.84 ALDH1A1 (0.42) ALDH1A1MAPTLMNANPC1SMN1; SMN2
SCHEMBL11099527 0.78 ALDH1A1 (0.37) ALDH1A1MAPTHSD17B1HSD17B2POLB
SCHEMBL13365642 0.77 NPSR1 (0.43) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL10979495 0.77 ALDH1A1 (0.34) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23927452 0.76 MEN1 (0.44) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL2092040 0.76 GPBAR1 (0.48) ALDH1A1GPBAR1POLBNPC1RAB9A
SCHEMBL18556032 0.76 RAB9A (0.43) ALDH1A1MAPTPOLBLMNANPC1
SCHEMBL4008894 0.76 ESR1 (0.41) ALDH1A1MAPTPOLBLMNANPC1
SCHEMBL11006800 0.76 SMN1; SMN2 (0.53) ALDH1A1MAPTGPBAR1POLBRAB9A

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
EP-0906014-B1 Shaped bodies which release agrochemicals BAYER AG (DE) 2002-03-27 EP disclosed
EP-0124404-A1 Insecticide collar and method for its manufacture Rombi, Max André (FR) 1984-11-07 EP disclosed