SCHEMBL9515893

SCHEMBL9515893

CCCSc1ccc(C)cc1SCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
APLNR P35414 2/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL21102991 0.85 L3MBTL1 (0.43) HPGDMAPTMEN1LMNATP53
SCHEMBL24548502 0.85 LMNA (0.42) HPGDMEN1LMNATP53KMT2A
SCHEMBL14873186 0.82 AR (0.34) HPGDMAPTMEN1LMNATP53
SCHEMBL14734011 0.81 HSD17B10 (0.42) HPGDMAPTMEN1LMNATP53
SCHEMBL16279674 0.78 PTGS2 (0.39) HPGDMAPTTP53KMT2APTGS2
SCHEMBL14733971 0.78 PKM (0.44) HPGDMAPTMEN1LMNATP53
SCHEMBL20080184 0.77 MAPT (0.32) HPGDMAPTMEN1LMNATP53
SCHEMBL21939453 0.76 CSNK2A1 (0.44) MEN1TP53KMT2ANPC1RAB9A
SCHEMBL10871739 0.76 PTGS2 (0.43) MAPTMEN1TP53KMT2AHSD17B10
SCHEMBL1369742 0.75 TSHR (0.53) MAPTLMNAALDH1A1SLC6A4SLC6A3

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