SCHEMBL29100494

SCHEMBL29100494

CC(C)(C)C1=C(Nc2ccc(N)cc2)C=CC(O)(C(C)(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.32
NR4A1 P22736 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30619857 0.81
SCHEMBL311842 0.68
SCHEMBL25308069 0.64
SCHEMBL9718228 0.62
SCHEMBL27714972 0.60 MAPT (0.58) NR4A1ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL30675107 0.59
SCHEMBL28394835 0.58
SCHEMBL12747008 0.57 MAPT (0.78) RAPGEF4NR4A1ALDH1A1CYP1A2CYP3A4
SCHEMBL29479572 0.57 MAPT (0.78) RAPGEF4NR4A1ALDH1A1CYP1A2CYP3A4
SCHEMBL5428343 0.57 MAPT (0.78) RAPGEF4NR4A1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117004197-A Weather-resistant glass fiber reinforced polyglycolic acid composite material and preparation method and application thereof 中国石油化工股份有限公司 2023-11-07 CN claimed