SCHEMBL7974243

SCHEMBL7974243

CCC(Oc1cc(C)c(C)c2c1CCC2=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
PPARA Q07869 8/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
PPARG P37231 7/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
HTT P42858 1/20 0.32
PPARD Q03181 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7976453 0.79 SMN1; SMN2 (0.42) SMN1; SMN2PPARAPTGDR2ALDH1A1PPARG
SCHEMBL7976511 0.78 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPTGDR2PPARGMEN1
SCHEMBL11359371 0.73 SMN1; SMN2 (0.73) SMN1; SMN2PPARAALDH1A1PPARGMEN1
SCHEMBL7517103 0.73 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4EGLAGAA
SCHEMBL7974342 0.72 PPARA (0.38) SMN1; SMN2PPARAPTGDR2PPARGPPARD
SCHEMBL7972678 0.71 ALDH1A1 (0.45) SMN1; SMN2PPARAALDH1A1KDM4EGAA
SCHEMBL4815922 0.71 SMN1; SMN2 (0.53) SMN1; SMN2PPARAPTGDR2ALDH1A1PPARG
SCHEMBL8558240 0.69 SMN1; SMN2 (0.42) SMN1; SMN2PPARAPTGDR2ALDH1A1KDM4E
SCHEMBL4817468 0.68 SMN1; SMN2 (0.53) SMN1; SMN2PPARAPTGDR2ALDH1A1PPARG
SCHEMBL7974197 0.67 MRGPRX4 (0.51) SMN1; SMN2PPARAPTGDR2ALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731795-B1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-12-22 EP claimed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 WO disclosed