SCHEMBL22707402

SCHEMBL22707402

c1ccc(-c2c3cccc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)c3cc3c(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ HPGD P15428 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ TNKS O95271 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ AR P10275 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37

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
SCHEMBL22706259 0.94 ALOX5 (0.41) ALOX5CA1CA2HPGDSMN1; SMN2
SCHEMBL19764777 0.94 CA1 (0.41) ALOX5CA1CA2HPGDSMN1; SMN2
SCHEMBL22707748 0.91 CA1 (0.41) ALOX5CA1CA2HPGDSMN1; SMN2
SCHEMBL20334712 0.89 CA1 (0.40) ALOX5CA1CA2HPGDSMN1; SMN2
SCHEMBL22707094 0.89 CA1 (0.40) ALOX5CA1CA2HPGDSMN1; SMN2
SCHEMBL22705939 0.89 CA1 (0.40) ALOX5CA1CA2HPGDSMN1; SMN2
SCHEMBL21763771 0.89 PLA2G2A (0.43) ALOX5CA1CA2HPGDSMN1; SMN2
SCHEMBL26491339 0.88 CDC14B (0.38) ALOX5CA1CA2HPGDSMN1; SMN2
SCHEMBL22706421 0.88 ALOX5 (0.41) ALOX5CA1CA2HPGDSMN1; SMN2
SCHEMBL22952943 0.88 ALOX5 (0.41) 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
US-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 — — US disclosed
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