SCHEMBL7430657

SCHEMBL7430657

CC(=O)SC(C(=O)Nc1cccc(C(=O)OCCO)c1)C(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 2/20 0.46
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 1/20 0.43
CASR P41180 2/20 0.43
SLC7A5 Q01650 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7429436 0.89 KMT2A (0.51) ALDH1A1RAB9AUSP2HSD17B10SMN1; SMN2
SCHEMBL7427603 0.85 NPSR1 (0.48) ALDH1A1USP2HSD17B10MAPTCASR
SCHEMBL7433262 0.85 RAB9A (0.43) ALDH1A1RAB9AUSP2HSD17B10SMN1; SMN2
SCHEMBL7429896 0.84 ALDH1A1 (0.57) ALDH1A1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL7441506 0.83 CASR (0.49) ALDH1A1RAB9AUSP2HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL7433991 0.81 RAB9A (0.51) ALDH1A1RAB9AMAPTHTTKMT2A
SCHEMBL7441468 0.76 ALDH1A1 (0.53) ALDH1A1RAB9AHSD17B10SMN1; SMN2MAPT
SCHEMBL7430654 0.75 RAB9A (0.50) ALDH1A1RAB9AUSP2HSD17B10SMN1; SMN2
SCHEMBL7436997 0.75 CREBBP (0.45) ALDH1A1HSD17B10MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7430566 0.75 ALDH1A1 (0.45) ALDH1A1RAB9AUSP2HSD17B10SMN1; SMN2

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-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed