SCHEMBL29040644

SCHEMBL29040644

CC(C)(C)c1ccc(CCC(=O)O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.52
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
EPHX2 P34913 1/20 0.44
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
CYP3A4 P08684 1/20 0.40
ESR2 Q92731 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ADAM17 P78536 1/20 0.39

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
SCHEMBL740968 0.83 POLB (0.50) NR1H4RXRARXRBRXRGNPSR1
Methane SCHEMBL8628685 0.82 POLB (0.49) NR1H4RXRARXRBRXRGNPSR1
SCHEMBL10442609 0.82 CYP1A2 (0.47) CYP2C19ALDH1A1CYP3A4
SCHEMBL7796587 0.81 NR1H4 (0.57) NR1H4RXRARXRBRXRGNPSR1
SCHEMBL28299778 0.80 NR1H4 (0.36) NR1H4RXRARXRBRXRGNPSR1
SCHEMBL13580640 0.80 NR1H4 (0.59) NR1H4RXRARXRBRXRGNPSR1
SCHEMBL17266677 0.79 ALOX5 (0.50)
SCHEMBL28242806 0.79 APEX1 (0.43) NR1H4RXRARXRBRXRGNPSR1
SCHEMBL9250696 0.79 CYP1A2 (0.42) CYP2C19ALDH1A1CYP3A4
SCHEMBL30206727 0.79 NR1H4 (0.48) NR1H4RXRARXRBRXRGNPSR1

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-116444727-A Water tree resistant modified propenyl thermoplastic insulating material and preparation method and application thereof 中国石油化工股份有限公司 2023-07-18 CN claimed
CN-116444931-A Electric-resistant dendronized thermoplastic insulating material, and preparation method and application thereof 中国石油化工股份有限公司 2023-07-18 CN claimed
CN-116444930-A Thermoplastic insulating material and preparation method and application thereof 中国石油化工股份有限公司 2023-07-18 CN claimed
CN-116453749-A Water tree-resistant cable and preparation method thereof 中国石油化工股份有限公司 2023-07-18 CN claimed
CN-116444727-A Water tree resistant modified propenyl thermoplastic insulating material and preparation method and application thereof 中国石油化工股份有限公司 2023-07-18 CN disclosed
CN-116444931-A Electric-resistant dendronized thermoplastic insulating material, and preparation method and application thereof 中国石油化工股份有限公司 2023-07-18 CN disclosed
CN-116444930-A Thermoplastic insulating material and preparation method and application thereof 中国石油化工股份有限公司 2023-07-18 CN disclosed
CN-116453749-A Water tree-resistant cable and preparation method thereof 中国石油化工股份有限公司 2023-07-18 CN disclosed