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SCHEMBL14282663

SCHEMBL14282663

CCCCCCOC/C=C/C(=O)Oc1cc2c3cc(OC(=O)/C=C/COCCCCCC)c(OC(=O)/C=C/COCCCCCC)cc3c3cc(OC(=O)/C=C/COCCCCCC)c(OC(=O)/C=C/COCCCCCC)cc3c2cc1OC(=O)/C=C/COCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.40
▸ CES2 O00748 2/20 0.38
▸ HCAR2 Q8TDS4 2/20 0.38
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ ZDHHC2 Q9UIJ5 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ AKR1C4 P17516 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35

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
SCHEMBL14282667 0.84 TP53 (0.48) —
SCHEMBL14282661 0.82 HTR1A (0.45) AKR1C3
SCHEMBL14282664 0.82 HTR1A (0.45) AKR1C3
SCHEMBL14282662 0.81 LTA4H (0.45) ESR1
SCHEMBL14415075 0.80 HCAR2 (0.40) APPHCAR2THRATHRBPLA2G2A
SCHEMBL14415074 0.80 HCAR2 (0.40) APPHCAR2THRATHRBPLA2G2A
SCHEMBL14415084 0.80 HCAR2 (0.40) APPHCAR2THRATHRBPLA2G2A
SCHEMBL14282668 0.80 TP53 (0.41) —
SCHEMBL14415092 0.75 ALOX15 (0.42) APPHCAR2THRATHRBPLA2G2A
SCHEMBL14282665 0.74 PLK1 (0.44) —

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-7314654-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2008-01-01 — — US disclosed
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