SCHEMBL15344635

SCHEMBL15344635

CCCc1cccc(C(=O)O)c1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.50
HMGB1 P09429 1/20 0.46
FOLH1 Q04609 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
HTT P42858 1/20 0.42
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 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
SCHEMBL6545712 0.93 CLCN2 (0.46) CLCN2HMGB1FOLH1BIDMCL1
Ammonia Solution, Strong SCHEMBL7718320 0.91 CLCN2 (0.45) CLCN2HMGB1FOLH1BIDMCL1
Ammonia Solution, Strong SCHEMBL7718324 0.91 CLCN2 (0.45) CLCN2HMGB1FOLH1BIDMCL1
SCHEMBL13571301 0.89 BID (0.50) CLCN2HMGB1FOLH1GABRA1GABRB2
SCHEMBL15344588 0.89 CLCN2 (0.50) CLCN2HMGB1FOLH1GABRA1GABRB2
SCHEMBL578127 0.88 CLCN2 (0.56) CLCN2HMGB1FOLH1MRGPRX4GABRA1
SCHEMBL15344563 0.88 BID (0.45) CLCN2HMGB1FOLH1GABRA1GABRB2
Ammonia Solution, Strong SCHEMBL29557133 0.86 CLCN2 (0.54) CLCN2HMGB1FOLH1MRGPRX4GABRA1
SCHEMBL12475346 0.85 PRKCI (0.42) CLCN2GABRA1GABRB2HTTALDH1A1
SCHEMBL28818542 0.85 TSHR (0.47) CLCN2HMGB1FOLH1HTTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569195-B2 Internal and external donor compounds for olefin polymerization catalysts II BASF CORPORATION (US) 2013-10-29 US claimed
EP-2782938-B1 HIGH ACTIVITY CATALYST FOR OLEFIN POLYMERIZATION BASF CORP (US) 2016-08-31 EP disclosed