SCHEMBL7995665

SCHEMBL7995665

O=Cc1cc(-c2ccsc2)c(O)c(-c2ccsc2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.50
PELI1 Q96FA3 2/20 0.49
TMIGD3 P0DMS9 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
ACMSD Q8TDX5 1/20 0.39
ALOX5 P09917 1/20 0.38
MAOB P27338 1/20 0.36
PTPRS Q13332 1/20 0.36
CYP2A6 P11509 1/20 0.36
PTPRC P08575 1/20 0.36

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
SCHEMBL18002228 0.77 ERN1 (0.51) ERN1ACMSDCYP2A6PTPRC
SCHEMBL12060965 0.74 ERN1 (0.49) ERN1PELI1TMIGD3ADORA2AADORA1
SCHEMBL9472211 0.73 PTPN1 (0.53) PELI1ALOX5CYP2A6
SCHEMBL29431673 0.73 TMIGD3 (0.48) ERN1PELI1TMIGD3ADORA2AADORA1
SCHEMBL7533951 0.72 ERN1 (0.51) ERN1PELI1TMIGD3ADORA2AADORA1
SCHEMBL6742709 0.72 ALDH1A1 (0.53) ERN1PELI1MAOB
SCHEMBL7575275 0.72 PELI1 (0.40) ERN1PELI1ADORA2AADORA1MAOB
SCHEMBL2548779 0.71 ERN1 (0.53) ERN1ACMSDCYP2A6PTPRC
SCHEMBL609426 0.70 ERN1 (0.49) ERN1PELI1MAOBCYP2A6PTPRC
SCHEMBL18002215 0.70 CYP2A6 (0.49) ERN1ACMSDCYP2A6PTPRC

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-6063815-A TREATMENT OF METABOLIC DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-16 US disclosed