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SCHEMBL14415075

SCHEMBL14415075

CCCCCCCCCO/C=C/C(=O)Oc1cc2c3cc(OC(=O)/C=C/OCCCCCCCCC)c(OC(=O)/C=C/OCCCCCCCCC)cc3c3cc(OC(=O)/C=C/OCCCCCCCCC)c(OC(=O)/C=C/OCCCCCCCCC)cc3c2cc1OC(=O)/C=C/OCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.40
▸ APP P05067 4/20 0.39
▸ THRA P10827 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ ZDHHC2 Q9UIJ5 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ AKR1C4 P17516 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL14415074 1.00 HCAR2 (0.40) HCAR2APPTHRATHRBPLA2G2A
SCHEMBL14415084 1.00 HCAR2 (0.40) HCAR2APPTHRATHRBPLA2G2A
SCHEMBL14415092 0.93 ALOX15 (0.42) HCAR2APPTHRATHRBPLA2G2A
SCHEMBL14415091 0.81 THRB (0.45) THRB
SCHEMBL14282663 0.80 APP (0.40) HCAR2APPTHRATHRBPLA2G2A
SCHEMBL14415076 0.80 TSHR (0.49) APPTHRATHRBTSHR
SCHEMBL14282664 0.79 HTR1A (0.45) AKR1C3TSHR
SCHEMBL14282661 0.79 HTR1A (0.45) AKR1C3TSHR
SCHEMBL14415077 0.78 HDAC10 (0.42) —
SCHEMBL14282662 0.77 LTA4H (0.45) ESR1

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-7273641-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2007-09-25 — — US disclosed
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