SCHEMBL8692291

SCHEMBL8692291

CC(=O)SCC([C]=O)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.48
FFAR1 O14842 1/20 0.46
PPARG P37231 9/20 0.45
PPARA Q07869 9/20 0.45
PPARD Q03181 4/20 0.45
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
SRD5A2 P31213 2/20 0.41
NPY5R Q15761 2/20 0.41
LTA4H P09960 1/20 0.41
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL27337151 0.87 MME (0.49) PPARAMMEACECYP1A2CYP3A4
SCHEMBL8692217 0.85 LDHA (0.50) ACACBPPARGPPARACYP1A2CYP2D6
SCHEMBL8695465 0.85 ACACB (0.45) ACACBFFAR1PPARGPPARAMME
SCHEMBL8695716 0.83 ACACB (0.48) ACACBPPARA
SCHEMBL8694777 0.81 PPARA (0.53) ACACBFFAR1PPARGPPARAPPARD
SCHEMBL8861640 0.81 PPARA (0.53) ACACBFFAR1PPARGPPARAPPARD
SCHEMBL8692294 0.79 FFAR1 (0.46) ACACBFFAR1PPARGPPARAPPARD
SCHEMBL8694880 0.76 FFAR1 (0.46) ACACBFFAR1PPARGPPARAPPARD
SCHEMBL17539605 0.72 FFAR1 (0.57) ACACBFFAR1PPARGPPARAPPARD
SCHEMBL8695484 0.72 SLC1A1 (0.44) PPARGPPARAMME

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-5846956-A Amino acids derivatives, the process for their preparation and their applications to therapy SOCIETE CIVILE BIOPROJET (FR) 1998-12-08 US disclosed