SCHEMBL21906629

SCHEMBL21906629

c1ccc(-c2cc(-c3ccccc3)cc(N(c3cc4c5cc(N(c6cc(-c7ccccc7)cc(-c7cccc(-c8ccc9oc%10c(N(c%11cc(-c%12ccccc%12)ccc%11-c%11ccccc%11)c%11cc%12c%13cc(N(c%14cc(-c%15ccccc%15)ccc%14-c%14ccccc%14)c%14cccc%15c%14oc%14ccccc%14%15)c%14ccccc%14c%13oc%12c%12ccccc%11%12)cccc%10c9c8)c7)c6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 3/20 0.36
▸ PLA2G4A P47712 3/20 0.36
▸ PLA2G10 O15496 1/20 0.36
▸ ALOX5 P09917 2/20 0.33

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
SCHEMBL25035971 0.91 PLA2G2A (0.36) PLA2G2APLA2G4APLA2G10ALOX5
SCHEMBL15852183 0.91 ALOX5 (0.39) PLA2G2APLA2G4APLA2G10ALOX5
SCHEMBL15852185 0.88 PLA2G2A (0.36) PLA2G2APLA2G4APLA2G10ALOX5
SCHEMBL25005459 0.87 ALOX5 (0.34) PLA2G2APLA2G4APLA2G10ALOX5
SCHEMBL22568580 0.85 PLA2G2A (0.39) PLA2G2APLA2G4APLA2G10ALOX5
SCHEMBL18802618 0.84 ALOX5 (0.39) PLA2G2APLA2G4APLA2G10ALOX5
SCHEMBL24585968 0.84 ALOX5 (0.44) PLA2G2APLA2G4APLA2G10ALOX5
SCHEMBL24781843 0.84 ALOX5 (0.39) PLA2G2APLA2G4APLA2G10ALOX5
SCHEMBL24906598 0.83 ALOX5 (0.31) ALOX5
SCHEMBL15852182 0.83 PLA2G2A (0.36) PLA2G2APLA2G4APLA2G10ALOX5

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-20200111962-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2020-04-09 — — US disclosed
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