SCHEMBL29017967

SCHEMBL29017967

CCCc1ccc(C(=O)OP(=O)(O)Oc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
ACACB O00763 2/20 0.41
ACACA Q13085 1/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
PLK1 P53350 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CYP2C19 P33261 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
THRB P10828 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL29038800 0.93 PLK1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9ARXRA
SCHEMBL29017985 0.91 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ARXRA
SCHEMBL28674163 0.86 ENPP1 (0.46) ALDH1A1SMN1; SMN2PLK1KDM4EPOLB
SCHEMBL29017992 0.83 PRSS1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9ARXRA
SCHEMBL28697485 0.83 PRSS1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9ARXRA
SCHEMBL29017960 0.82 MRGPRX4 (0.42) ALDH1A1NPC1RAB9ARXRARXRB
SCHEMBL29017962 0.80 MAPT (0.43) ALDH1A1SMN1; SMN2NPC1RAB9APRSS1
SCHEMBL28696136 0.79 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ARXRA
SCHEMBL28695446 0.79 PLK1 (0.46) SMN1; SMN2PLK1CYP2C19THRBS1PR1
SCHEMBL28690265 0.77 RAB9A (0.39) ALDH1A1SMN1; SMN2NPC1RAB9ARXRA

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-113929798-B Solid catalyst component and catalyst system for olefin polymerization 中国石油化工股份有限公司 2023-07-21 CN claimed
CN-113929797-B Solid catalyst component and catalyst system for producing polymers 中国石油化工股份有限公司 2023-07-21 CN claimed
CN-113929799-B Catalyst component for olefin polymerization, catalyst system and use 中国石油化工股份有限公司 2023-05-09 CN claimed