SCHEMBL7795733

SCHEMBL7795733

CCOC(=O)c1ccc2[nH]c(C(=O)SCCCCCSC(=O)c3nc4cc(C(=O)OCC)ccc4[nH]3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.45
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
POLB P06746 1/20 0.44
SIRT2 Q8IXJ6 4/20 0.43
SIRT1 Q96EB6 3/20 0.43
SIRT3 Q9NTG7 2/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43

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
Hydrochloric Acid SCHEMBL7792330 0.99 HCRTR1 (0.44) HCRTR1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL7795735 0.91 PKN1 (0.55) HCRTR1ALDH1A1RAB9AKDM4EMAPT
Hydrochloric Acid SCHEMBL7792335 0.90 PKN1 (0.54) HCRTR1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL12393006 0.82 HRH3 (0.56) HCRTR1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL7792319 0.82 PIN1 (0.47) ALDH1A1RAB9AKDM4EMAPTMEN1
SCHEMBL7796360 0.79 EGLN1 (0.46) ALDH1A1RAB9AKDM4EMAPTMEN1
SCHEMBL6169066 0.78 HCRTR1 (0.56) HCRTR1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL7794739 0.77 HRH4 (0.41) ALDH1A1RAB9AKDM4EMAPTMEN1
SCHEMBL7794715 0.76 HSD17B10 (0.44) ALDH1A1RAB9AKDM4EMAPTMEN1
SCHEMBL4223995 0.76 PKN1 (0.52) HCRTR1ALDH1A1RAB9AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742210-B1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO LTD (JP) 2001-11-21 EP disclosed
US-5962493-A HYPOLIPEMIC AGENTS; ANTICHOLESTEROL AGENTS FUJI PHOTO FILM CO., LTD. (JP) 1999-10-05 US disclosed
EP-0742210-A1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1996-11-13 EP disclosed