SCHEMBL21763760

SCHEMBL21763760

c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc(-c4cccc5oc6ccccc6c45)c3)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.38
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ AR P10275 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 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
SCHEMBL26491339 0.93 CDC14B (0.38) ALOX5CA1CA2CYP3A4HPGD
SCHEMBL19764777 0.92 CA1 (0.41) ALOX5CA1CA2CYP3A4HPGD
SCHEMBL23637564 0.92 PLA2G2A (0.40) ALOX5CA1CA2CYP3A4HPGD
SCHEMBL22180605 0.92 PLA2G2A (0.40) ALOX5CA1CA2CYP3A4HPGD
SCHEMBL22063086 0.91 CA1 (0.40) ALOX5CA1CA2CYP3A4HPGD
SCHEMBL21763771 0.91 PLA2G2A (0.43) ALOX5CA1CA2CYP3A4HPGD
SCHEMBL27011380 0.90 HCRTR1 (0.36) ALOX5CA1CA2HPGDNPC1
SCHEMBL25894846 0.90 PLA2G2A (0.41) ALOX5CA1CA2CYP3A4HPGD
SCHEMBL20650647 0.89 CDC14B (0.40) ALOX5CA1CA2CYP3A4HPGD
SCHEMBL18272739 0.89 MCL1 (0.36) ALOX5CA1CA2HPGDSMN1; SMN2

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-2020040514-A1 ORGANIC LIGHT EMITTING DIODE 주식회사 엘지화학 2020-02-27 — — WO disclosed
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