SCHEMBL14600494

SCHEMBL14600494

CC(C)Oc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7c8ccccc8c(-c8c9ccccc9c(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c9ccccc89)c8ccccc78)ccc5-6)ccc3-4)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.43
▸ ACP1 P24666 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ PPARG P37231 4/20 0.33
▸ PPARA Q07869 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ BMPR1B O00238 1/20 0.33
▸ ACVR1B P36896 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ MCL1 Q07820 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL14600357 0.99 PDK2 (0.44) PDK2ACP1KMT2AALOX5APFEN1
SCHEMBL14600378 0.99 PDK2 (0.44) PDK2ACP1KMT2AALOX5APFEN1
SCHEMBL14600431 0.99 PDK2 (0.44) PDK2ACP1KMT2AALOX5APFEN1
SCHEMBL14600326 0.97 PDK2 (0.45) PDK2ACP1KMT2AALOX5APFEN1
SCHEMBL14600477 0.96 PDK2 (0.40) PDK2ACP1KMT2AALOX5APFEN1
SCHEMBL14600416 0.95 PDK2 (0.41) PDK2ACP1KMT2AALOX5APFEN1
SCHEMBL14600406 0.95 PDK2 (0.41) PDK2ACP1KMT2AALOX5APFEN1
SCHEMBL13376508 0.88 PDK2 (0.50) PDK2KMT2AMCL1GAA
SCHEMBL14600452 0.88 PDK2 (0.37) PDK2ACP1KMT2AALOX5APFEN1
SCHEMBL14600384 0.88 PDK2 (0.43) PDK2ACP1KMT2APPARGPPARA

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
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 — — US disclosed
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