SCHEMBL28665285

SCHEMBL28665285

CCC(=O)c1ccc(OC(=O)CCl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 6/20 0.56
ESR1 P03372 2/20 0.56
HIF1A Q16665 2/20 0.56
RECQL P46063 1/20 0.56
ELANE P08246 1/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 6/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL6458347 0.87 GSK3B (0.55) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL11655934 0.86 HIF1A (0.66) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL4095285 0.82 KMT2A (0.52) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL20278607 0.82 KMT2A (0.60) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL11390053 0.79 ELANE (0.58) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL6691158 0.79 HSD17B10 (0.52) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL6691696 0.79 ESR1 (0.56) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL4643847 0.79 CA1 (0.58) KMT2ARAB9AALDH1A1MAPTKDM4E
SCHEMBL11601293 0.79 KMT2A (0.53) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL28030140 0.78 GSK3B (0.64) KMT2ASMN1; SMN2HIF1ARAB9ANPC1

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
CN-113683522-A Preparation method of N-methyltyramine hydrochloride 广汉市派瑞林科技有限责任公司 2021-11-23 CN disclosed