SCHEMBL9516370

SCHEMBL9516370

CN(C)C(=O)CCSCCSCCC(=O)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA4 P43681 2/20 0.40
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
TSHR P16473 3/20 0.32
BHMT Q93088 2/20 0.32
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
GAA P10253 2/20 0.31
CHRNA3 P32297 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
SCHEMBL13901839 0.88 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10LMNAKMT2A
SCHEMBL18470038 0.88 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10LMNAKMT2A
SCHEMBL15948624 0.85 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10LMNAKMT2A
SCHEMBL1106823 0.81 CYP2D6 (0.46) ALDH1A1HPGDHSD17B10LMNAKMT2A
SCHEMBL8613878 0.81 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10LMNAKMT2A
SCHEMBL12132165 0.81 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10LMNAKMT2A
SCHEMBL10697807 0.81 BHMT (0.51) ALDH1A1HPGDHSD17B10LMNAKMT2A
SCHEMBL7134945 0.79
SCHEMBL18534154 0.79
SCHEMBL24218762 0.78 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345847-B1 PROCESS FOR THE PREPARATION OF POLYMERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-08-04 EP disclosed
EP-0345847-A1 Process for the preparation of polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-12-13 EP disclosed