SCHEMBL14706337

SCHEMBL14706337

CCCCCCCCCCCCOc1cc(N2C(=O)c3ccc4c5c(Br)cc6c7c(ccc(c8c(Br)cc(c3c48)C2=O)c75)C(=O)N(c2cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c2)C6=O)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.35
▸ THRB P10828 4/20 0.35
▸ SMPD1 P17405 4/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL14827380 0.94 MAPT (0.35) THRATHRBSMPD1CNR2KDM4E
SCHEMBL14827382 0.94 MAPT (0.35) THRATHRBSMPD1CNR2KDM4E
SCHEMBL15078808 0.94 ALOX5 (0.36) SMPD1CNR2
SCHEMBL15077489 0.87 S1PR5 (0.32) THRATHRBSMPD1KDM4EALDH1A1
SCHEMBL15077485 0.86 ALOX5 (0.35) SMPD1CNR2
SCHEMBL12217046 0.86 TP53 (0.37) THRATHRBCNR2MAPTTDP1
SCHEMBL17514415 0.85 KMT2A (0.39) ALDH1A1LMNAMAPTPPARG
SCHEMBL14827384 0.84 GRM5 (0.42) THRATHRBSMPD1
SCHEMBL17514371 0.82 KMT2A (0.39) ALDH1A1LMNAMAPTPPARG
SCHEMBL15965787 0.82 ALDH1A1 (0.38) THRBSMPD1CNR2KDM4EALDH1A1

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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