SCHEMBL28839760

SCHEMBL28839760

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.49
F2RL1 P55085 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX5 P09917 1/20 0.43
CALM1 P0DP23 2/20 0.43

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
SCHEMBL5706265 0.87 F2RL1 (0.46) LDHAF2RL1ALDH1A1SMN1; SMN2GLA
SCHEMBL27459521 0.85 ALDH1A1 (0.47) LDHAF2RL1ALDH1A1SMN1; SMN2GLA
SCHEMBL7061908 0.83 CTSK (0.50) SMN1; SMN2KMT2AHTT
SCHEMBL28126623 0.81 KMT2A (0.57) LDHAF2RL1ALDH1A1SMN1; SMN2GLA
SCHEMBL28046631 0.81 LDHA (0.59) LDHAF2RL1HTT
SCHEMBL28126646 0.80 LDHA (0.68) LDHAF2RL1ALDH1A1SMN1; SMN2HTT
SCHEMBL28126648 0.79 LDHA (0.49) LDHAF2RL1ALDH1A1SMN1; SMN2GLA
SCHEMBL27628692 0.78 BLM (0.38) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8366092 0.78 CTSS (0.43) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL30975126 0.78 NPC1 (0.39) NPC1RAB9A

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 3 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