SCHEMBL28126646

SCHEMBL28126646

COc1ccc(CCC(C(=O)O)C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.68
ALDH1A1 P00352 2/20 0.56
F2RL1 P55085 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
FFAR1 O14842 2/20 0.53
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CALM1 P0DP23 1/20 0.50
ALOX5 P09917 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL17873232 0.86 LDHA (0.59) LDHAALDH1A1F2RL1SMN1; SMN2FFAR1
SCHEMBL3739740 0.86 LDHA (0.59) LDHAALDH1A1F2RL1SMN1; SMN2FFAR1
SCHEMBL7676917 0.86 LDHA (0.59) LDHAALDH1A1F2RL1SMN1; SMN2FFAR1
SCHEMBL6942606 0.84 KIF11 (0.57) LDHAALDH1A1F2RL1SMN1; SMN2FFAR1
SCHEMBL6950447 0.84 KIF11 (0.57) LDHAALDH1A1F2RL1SMN1; SMN2FFAR1
SCHEMBL8199902 0.84 LDHA (0.57) LDHAALDH1A1F2RL1SMN1; SMN2FFAR1
SCHEMBL18071078 0.84 KIF11 (0.57) LDHAALDH1A1F2RL1SMN1; SMN2FFAR1
SCHEMBL28699523 0.84 MMP8 (0.46) LDHAFFAR1
SCHEMBL18065709 0.83 ALDH1A1 (0.62) LDHAALDH1A1NPC1RAB9AALOX5
SCHEMBL28126623 0.83 KMT2A (0.57) LDHAALDH1A1F2RL1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106543312-A A kind of olefin polymerization catalyst system and its application 中国石油化工股份有限公司 2017-03-29 CN claimed
CN-106543314-A The application of catalyst containing ether ester and the catalyst and ether ester in olefinic polyreaction 中国石油化工股份有限公司 2017-03-29 CN claimed
CN-106543313-A A kind of olefin polymerization catalyst system and its application 中国石油化工股份有限公司 2017-03-29 CN claimed
CN-106543310-A A kind of olefin polymerization catalyst system and its application 中国石油化工股份有限公司 2017-03-29 CN claimed
CN-106543312-A A kind of olefin polymerization catalyst system and its application 中国石油化工股份有限公司 2017-03-29 CN disclosed
CN-106543314-A The application of catalyst containing ether ester and the catalyst and ether ester in olefinic polyreaction 中国石油化工股份有限公司 2017-03-29 CN disclosed
CN-106543313-A A kind of olefin polymerization catalyst system and its application 中国石油化工股份有限公司 2017-03-29 CN disclosed
CN-106543310-A A kind of olefin polymerization catalyst system and its application 中国石油化工股份有限公司 2017-03-29 CN disclosed