SCHEMBL6869622

SCHEMBL6869622

OC[C@H](Cc1ccc(-c2ccccc2)cc1)C(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.45
PSAT1 Q9Y617 2/20 0.45
ACP3 P15309 1/20 0.45
FFAR1 O14842 1/20 0.44
PPARG P37231 6/20 0.44
PPARA Q07869 5/20 0.44
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42
MME P08473 5/20 0.42
ACE P12821 4/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TRPA1 O75762 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 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
SCHEMBL28264926 0.88 TRPA1 (0.52) TSHRPTGS1TAAR1TRPA1CYP1A2
SCHEMBL19112059 0.80 LTA4H (0.56) FFAR1PPARGPPARAMMP12MMP13
SCHEMBL19112147 0.79 ADRB2 (0.49) PPARGCYP2D6
SCHEMBL19112028 0.78 SRR (0.49) SRRPSAT1ACP3FFAR1PPARG
SCHEMBL17418354 0.77 TRPA1 (0.58) TSHRPTGS1TAAR1TRPA1CYP1A2
SCHEMBL10338651 0.77 TRPA1 (0.58) TSHRPTGS1TAAR1TRPA1CYP1A2
SCHEMBL6868143 0.76 LTA4H (0.53) FFAR1PPARGPPARAMMP2ALDH1A1
SCHEMBL7357345 0.76 EPHX1 (0.58) SRRPSAT1ACP3FFAR1PPARG
SCHEMBL7357350 0.76 EPHX1 (0.58) SRRPSAT1ACP3FFAR1PPARG
SCHEMBL14733400 0.76 EPHX1 (0.58) SRRPSAT1ACP3FFAR1PPARG

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
WO-2011023864-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-03 WO disclosed