SCHEMBL14706338

SCHEMBL14706338

CCCCCCCCCCCCOc1cc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ccc(N(c3ccc(N5C(=O)c6ccc7c8c(ccc(c68)C5=O)C(=O)N(c5cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c5)C7=O)cc3)c3ccc(N5C(=O)c6ccc7c8c(ccc(c68)C5=O)C(=O)N(c5cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c5)C7=O)cc3)cc2)C4=O)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ APAF1 O14727 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ CA12 O43570 1/20 0.34

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
SCHEMBL14706336 0.87 PPARG (0.36) MEN1RAB9AKMT2AALDH1A1TDP1
SCHEMBL13572446 0.82 MCHR1 (0.35) GAAMEN1KMT2AALDH1A1PPARG
SCHEMBL13572449 0.82 MAPT (0.36) GAAMEN1RAB9AKMT2AALDH1A1
SCHEMBL13572447 0.82 PPARA (0.35) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL15965787 0.81 ALDH1A1 (0.38) MEN1KMT2AALDH1A1KDM4EPPARG
SCHEMBL13572451 0.81 GRM5 (0.38) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL13572450 0.81 ALDH1A1 (0.33) GAAMEN1RAB9AKMT2AALDH1A1
SCHEMBL14706337 0.81 THRA (0.35) ALDH1A1KDM4ETDP1PPARGPPARD
SCHEMBL14706353 0.78 MAPT (0.38) MEN1RAB9AKMT2AALDH1A1TDP1
SCHEMBL6787896 0.76 LTA4H (0.40) PPARGPPARDPPARAMCHR1MAPT

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-8378336-B2 Liquid crystalline organic semiconductor material and organic electron device FUJIFILM CORPORATION (JP) 2013-02-19 — — US disclosed
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