SCHEMBL8306299

SCHEMBL8306299

CCC1=C(C)CN(CCCc2ccc(CC(SC(C)C)C(=O)O)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.35
MMP9 P14780 3/20 0.35
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
S1PR1 P21453 1/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
PPARD Q03181 1/20 0.31
LIPG Q9Y5X9 2/20 0.30
MMP3 P08254 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
MEN1 O00255 1/20 0.30
ABCC3 O15438 1/20 0.30
ABCC4 O15439 1/20 0.30
ABCB11 O95342 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL8308029 0.91 PARP1 (0.36) PARP1PARP2
SCHEMBL8302072 0.89 NAAA (0.32) PARP1PARP2PPARGPPARALIPG
SCHEMBL8301292 0.82 PPARG (0.37) PARP1PARP2PPARGPPARAPPARD
SCHEMBL8306723 0.77 PARP1 (0.36) PARP1PARP2PPARGPPARALIPG
SCHEMBL8308031 0.76 PARP1 (0.35) PARP1PARP2
SCHEMBL21961161 0.66 CYP1A2 (0.52) MEN1CYP2C9KMT2A
SCHEMBL8301343 0.63 HRH3 (0.39) PPARG
SCHEMBL14363146 0.58 KMT2A (0.56) LIPGMEN1ABCC3ABCC4ABCB11
SCHEMBL24295037 0.57 ALDH1A1 (0.58) PPARA
SCHEMBL11301059 0.57 CYP1A2 (0.59) MEN1CYP2C9KMT2A

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
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed