SCHEMBL11299062

SCHEMBL11299062

CCCCN(C(=O)OC(C)C)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
PAX8 Q06710 2/20 0.43
TP53 P04637 1/20 0.43
GPX4 P36969 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
GHSR Q92847 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCL2A1 Q16548 1/20 0.40
JAK2 O60674 1/20 0.39

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
SCHEMBL11330421 0.84 HPGD (0.47) ALDH1A1HPGDRAB9ANPC1ALOX15
SCHEMBL11339645 0.81 HPGD (0.40) ALDH1A1HPGDRAB9ANPC1ALOX15
SCHEMBL14229485 0.81 ALDH1A1 (0.47) ALDH1A1HPGDRAB9ANPC1PAX8
SCHEMBL14228996 0.81 ALDH1A1 (0.47) ALDH1A1HPGDRAB9ANPC1PAX8
SCHEMBL11336026 0.80 HPGD (0.43) ALDH1A1HPGDRAB9ANPC1ALOX15
SCHEMBL14229681 0.79 TP53 (0.56) ALDH1A1HPGDRAB9ANPC1PAX8
SCHEMBL14201174 0.79 ALDH1A1 (0.45) ALDH1A1HPGDRAB9ANPC1PAX8
SCHEMBL14201167 0.75 ALDH1A1 (0.47) ALDH1A1HPGDRAB9ANPC1PAX8
SCHEMBL14200338 0.75 ALDH1A1 (0.50) ALDH1A1HPGDRAB9ANPC1PAX8
SCHEMBL14229084 0.75 RIPK1 (0.52) ALDH1A1HPGDRAB9ANPC1PAX8

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-0067533-A1 Process of spray micro-encapsulation and composition for use therein ENVIRONMENTAL CHEMICALS, INC. (US) 1982-12-22 EP disclosed