SCHEMBL14282662

SCHEMBL14282662

CCCCCC=CC(=O)Oc1cc2c(cc1OC(=O)/C=C/CCCCC)c1cc(OC(=O)/C=C/CCCCC)c(OC(=O)C=CCCCCC)cc1c1cc(OC(=O)/C=C/CCCCC)c(OC(=O)/C=C/CCCCC)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.45
▸ HTR1A P08908 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2E1 P05181 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ CYP2C8 P10632 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2B6 P20813 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ PPARG P37231 5/20 0.41
▸ PPARA Q07869 4/20 0.41
▸ PSMB11 A5LHX3 1/20 0.40
▸ PSMA7 O14818 1/20 0.40
▸ PSMB1 P20618 1/20 0.40

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
SCHEMBL14282661 0.98 HTR1A (0.45) LTA4HHTR1ACYP3A4CYP1A2CYP2E1
SCHEMBL14282664 0.98 HTR1A (0.45) LTA4HHTR1ACYP3A4CYP1A2CYP2E1
SCHEMBL14282663 0.81 APP (0.40) ESR1
SCHEMBL28512568 0.78 POLM (0.46) HTR1ACNR1CNR2PPARAPSMB11
SCHEMBL10912100 0.77 ZDHHC2 (0.59) CNR1CNR2PPARGPPARAMAPT
SCHEMBL10912097 0.77 ZDHHC2 (0.59) CNR1CNR2PPARGPPARAMAPT
SCHEMBL14415084 0.77 HCAR2 (0.40) ESR1
SCHEMBL14415075 0.77 HCAR2 (0.40) ESR1
SCHEMBL10911699 0.76 ZDHHC2 (0.62) CNR1CNR2PPARGPPARAMAPT
SCHEMBL10955723 0.76 ZDHHC2 (0.62) CNR1CNR2PPARGPPARAMAPT

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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