SCHEMBL23581069

SCHEMBL23581069

Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NQO1 P15559 1/20 0.41
▸ CYP2C19 P33261 6/20 0.40
▸ CYP2C9 P11712 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ BCL2 P10415 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ TSHR P16473 2/20 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
SCHEMBL9007187 0.86 BCL2 (0.44) MEN1KMT2AGAACYP2C19CYP2C9
SCHEMBL29000698 0.86 CYP2C19 (0.52) MEN1KMT2AGAANQO1CYP2C19
SCHEMBL31612404 0.85 CYP2C19 (0.51) MEN1KMT2AGAACYP2C19CYP2C9
SCHEMBL7083042 0.85 CYP2C19 (0.51) MEN1KMT2AGAACYP2C19CYP2C9
SCHEMBL11139218 0.80 GAA (0.47) MEN1KMT2AGAACYP2C19CYP2C9
SCHEMBL10815379 0.78 CYP2C19 (0.49) MEN1KMT2AGAACYP2C19CYP2C9
SCHEMBL5009340 0.76 CYP2C9 (0.50) MEN1KMT2AGAACYP2C19CYP2C9
SCHEMBL9349122 0.76 CYP2C19 (0.45) MEN1KMT2AGAACYP2C19CYP2C9
SCHEMBL1187217 0.75 MEN1 (0.57) MEN1KMT2AGAACYP2C19CYP2C9
SCHEMBL11091405 0.75 GLRA3 (0.43) MEN1KMT2AGAACYP2C19CYP2C9

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
WO-2021128809-A1 ENVIRONMENT-FRIENDLY WEAR-RESISTANT FLAME-RETARDANT EVA FOAM COMPOSITE MATERIAL 福州大学 2021-07-01 — — WO claimed
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