SCHEMBL8302072

SCHEMBL8302072

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.32
LIPG Q9Y5X9 3/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
P2RX3 P56373 2/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
CYP2C9 P11712 2/20 0.31
CNR2 P34972 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31

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
SCHEMBL8306299 0.89 MMP2 (0.35) LIPGPARP1PARP2CYP2C9CHRM2
SCHEMBL8308029 0.88 PARP1 (0.36) PARP1PARP2
SCHEMBL8306723 0.77 PARP1 (0.36) LIPGPARP1PARP2CNR2PPARG
SCHEMBL8308031 0.74 PARP1 (0.35) PARP1PARP2
SCHEMBL8304445 0.69 PPARA (0.42) PPARGPPARA
SCHEMBL8306803 0.68 PPARG (0.52) CHRM1TBXA2RPPARGPPARA
SCHEMBL8301343 0.65 HRH3 (0.39) ACACBPPARG
SCHEMBL26538697 0.61 GAA (0.48) ALDH1A1POLBMEN1KMT2A
SCHEMBL7454243 0.60 NPC1 (0.50) ALDH1A1POLBNPC1RAB9AP2RX3
SCHEMBL14363146 0.58 KMT2A (0.56) LIPGALDH1A1POLBNPC1RAB9A

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