SCHEMBL11263995

SCHEMBL11263995

COCC(=O)SCC(=O)N(CC(=O)OC)c1c(C)ccc(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11279572 0.91 ALDH1A1 (0.35) RAB9AALDH1A1HPGD
SCHEMBL11285126 0.91 RAB9A (0.39) RAB9AALDH1A1HPGDALOX15MAPK1
SCHEMBL11299624 0.89
SCHEMBL11280635 0.89 ALDH1A1 (0.35) RAB9AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL11278193 0.89 RAB9A (0.38) RAB9AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL11278693 0.87 RAB9A (0.34) RAB9AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL11277894 0.86 RAB9A (0.36) RAB9AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL11267077 0.86 RAB9A (0.33) RAB9AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL11278389 0.86 RAB9A (0.33) RAB9AALDH1A1HPGDHSD17B10ALOX15
SCHEMBL11274383 0.86 RAB9A (0.33) RAB9AALDH1A1HPGDHSD17B10ALOX15

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-4313957-A Pesticidal sulfur containing amides derived from aniline and the method of preparation thereof RHONE-POULENC AGROCHIMIE (FR) 1982-02-02 US disclosed