SCHEMBL20053339

SCHEMBL20053339

c1ccc2c(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6c6c(-c7ccc(-c8c9ccccc9c(-c9ccc%10c(c9)sc9c%11ccccc%11c%11ccccc%11c%109)c9ccccc89)cc7)cccc6c54)c4ccccc34)cccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.34
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ LIMK1 P53667 2/20 0.32
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ PRKDC P78527 1/20 0.30
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL17247019 0.94 ALOX5 (0.37) ALOX5CA12CA1CA2CA9
SCHEMBL17247021 0.93 CA12 (0.38) ALOX5CA12CA1CA2CA9
SCHEMBL17932029 0.92 ALOX5 (0.36) ALOX5CA12CA1CA2CA9
SCHEMBL17944967 0.91 ALOX5 (0.38) ALOX5CA12CA1CA2CA9
SCHEMBL17247047 0.91 ALOX5 (0.35) ALOX5CA12CA1CA2CA9
SCHEMBL17247048 0.89 CA12 (0.39) ALOX5CA12CA1CA2CA9
SCHEMBL17944888 0.89 ALOX5 (0.34) ALOX5CA12CA1CA2CA9
SCHEMBL13508014 0.89 ALOX5 (0.36) ALOX5CA12CA1CA2CA9
SCHEMBL19109115 0.88 ALOX5 (0.40) ALOX5CA12CA1CA2CA9
SCHEMBL17944438 0.88 ALOX5 (0.39) ALOX5CA12CA1CA2CA9

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-9947879-B2 Anthracene derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-04-17 — — US disclosed
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