SCHEMBL8694880

SCHEMBL8694880

O=[C]C(CS)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
PPARG P37231 7/20 0.45
PPARA Q07869 7/20 0.45
LTA4H P09960 2/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PPARD Q03181 2/20 0.43
ACACB O00763 1/20 0.43
SRD5A2 P31213 2/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41

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
SCHEMBL28108544 0.84 FOLH1 (0.50) MMEACE
SCHEMBL8695806 0.81 MME (0.44) FFAR1PPARGPPARAMMEACE
SCHEMBL8692467 0.80 IDO1 (0.50) ACACB
SCHEMBL8692821 0.77 NQO1 (0.45) PPARAACACB
SCHEMBL8692291 0.76 ACACB (0.48) FFAR1PPARGPPARALTA4HMME
SCHEMBL8694884 0.74 FFAR1 (0.46) FFAR1PPARGPPARALTA4HMME
SCHEMBL9068904 0.73 LTA4H (0.56) PPARGPPARALTA4HMMP2MMP9
SCHEMBL1697450 0.72 CYP1A2 (0.48) CPA1
SCHEMBL9392018 0.71 RAB9A (0.51) PPARGPPARALTA4HPPARDACACB
SCHEMBL10605860 0.70 LTA4H (0.61) FFAR1LTA4HSRD5A2MMP3

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
US-5846956-A Amino acids derivatives, the process for their preparation and their applications to therapy SOCIETE CIVILE BIOPROJET (FR) 1998-12-08 US claimed
US-5846956-A Amino acids derivatives, the process for their preparation and their applications to therapy SOCIETE CIVILE BIOPROJET (FR) 1998-12-08 US disclosed
US-5670531-A ENKEPHALINASE OR ANGIOTENSIN CONVERTING ENZYME INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-09-23 US disclosed