SCHEMBL28898243

SCHEMBL28898243

CCCCCCCCc1cc(C(C)(C)C)c(OP(O)O)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 8/20 0.38
▸ PTGS2 P35354 4/20 0.38
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ LIPG Q9Y5X9 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL28766851 0.77 ALOX15 (0.45) ALOX5TP53CYP3A4MAPTALOX15
SCHEMBL7198533 0.75 ALOX15 (0.52) ALOX5PTGS2TSHRMEN1KMT2A
SCHEMBL11069561 0.75 ALOX5 (0.40) ALOX5PTGS2TSHRMEN1KMT2A
SCHEMBL31601473 0.75 ALOX5 (0.34) ALOX5PTGS2TP53CYP3A4TYR
SCHEMBL9778023 0.74 ALOX5 (0.36) ALOX5PTGS2TSHRMEN1KMT2A
SCHEMBL11062142 0.74 ALOX5 (0.36) ALOX5PTGS2TSHRMEN1KMT2A
SCHEMBL11414007 0.73 THRB (0.37) ALOX5PTGS2TSHRMEN1KMT2A
SCHEMBL2532156 0.72 ALOX5 (0.36) ALOX5PTGS2TP53CYP3A4TYR
SCHEMBL28875936 0.72 NPC1 (0.38) HTTPPARA
SCHEMBL29287253 0.72 TYR (0.38) ALOX5TSHRMEN1KMT2ATP53

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-111205618-A Low-temperature impact-resistant high-transmittance flame-retardant polycarbonate composite material and preparation method thereof 宁波坚锋新材料有限公司 2020-05-29 — — CN disclosed
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