SCHEMBL11584841

SCHEMBL11584841

O=C(NCCl)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
TAAR1 Q96RJ0 2/20 0.53
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.47
FAAH O00519 1/20 0.47
HTT P42858 1/20 0.47
RAD51 Q06609 1/20 0.46
SLC1A3 P43003 1/20 0.45

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
SCHEMBL1895210 0.85 TAAR1 (0.58) HSD17B10TAAR1RAB9ANPC1GAA
SCHEMBL13055389 0.83 TAAR1 (0.60) HSD17B10TAAR1RAB9ANPC1GAA
SCHEMBL9778357 0.83 HSD17B10 (0.57) HSD17B10TAAR1ALDH1A1RAB9ANPC1
SCHEMBL1893164 0.82 TAAR1 (0.55) TAAR1RAB9ANPC1GAA
SCHEMBL11584009 0.80 FAAH (0.56) FAAH
SCHEMBL18389610 0.80
SCHEMBL126140 0.80 HSD17B10 (0.54) HSD17B10TAAR1ALDH1A1RAB9ANPC1
SCHEMBL1833771 0.80 HSD17B10 (0.58) HSD17B10TAAR1ALDH1A1RAB9ANPC1
SCHEMBL21925516 0.80 HSD17B10 (0.54) HSD17B10TAAR1ALDH1A1RAB9ANPC1
SCHEMBL1416169 0.80 HSD17B10 (0.58) HSD17B10TAAR1ALDH1A1RAB9ANPC1

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
US-4090862-A Novel phenoxycarboxylic acid aryloxy(thio)carbonylaminomethyl esters and their use for regulating plant growth BAYER AKTIENGESELLSCHAFT (DT) 1978-05-23 US disclosed