SCHEMBL17573767

SCHEMBL17573767

C1=C(c2ccc(-c3cccc(-c4ccccc4)c3)cc2)C=C(c2cc(-c3cccc4c3oc3ccccc34)ccc2Nc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.40
▸ PTGES2 Q9H7Z7 1/20 0.36
▸ PRKDC P78527 3/20 0.34
▸ GGPS1 O95749 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ PLA2G2A P14555 1/20 0.30
▸ PLA2G4A P47712 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
SCHEMBL17573972 0.84 PLA2G2A (0.34) ALDH1A1HPGDEPHX2PLA2G2APLA2G4A
SCHEMBL17463835 0.82 ALOX5 (0.49) ALOX5PTGES2PRKDCGGPS1KDM4E
SCHEMBL18767403 0.80 ALOX5 (0.52) ALOX5PTGES2PRKDCGGPS1PRMT5
SCHEMBL20317145 0.78 ALOX5 (0.52) ALOX5PTGES2PRKDCGGPS1PRMT5
SCHEMBL17468618 0.77 — —
SCHEMBL17012663 0.76 SIRT2 (0.39) KDM4ETDP1
SCHEMBL20317138 0.75 ALOX5 (0.53) ALOX5PTGES2PRKDCGGPS1PRMT5
SCHEMBL10109885 0.74 ALOX5 (0.55) ALOX5PTGES2PRKDCGGPS1KDM4E
SCHEMBL10109883 0.74 ALOX5 (0.55) ALOX5PTGES2PRKDCGGPS1KDM4E
SCHEMBL17463912 0.74 ALOX5 (0.42) ALOX5PTGES2PRKDCGGPS1KDM4E

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
WO-2016036171-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICES COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-03-10 — — WO disclosed
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