SCHEMBL30332826

SCHEMBL30332826

c1ccc2c(c1)ccc1c2ccc2c(-c3c4ccccc4c(-c4coc5c4ccc4c6ccccc6ccc45)c4ccccc34)coc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP2A6 P11509 1/20 0.43

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
SCHEMBL30302922 0.92 HPRT1 (0.45) HPRT1ALDH1A1MEN1KMT2AHIF1A
SCHEMBL27356726 0.86 MEN1 (0.45) HPRT1ALDH1A1MEN1KMT2AHIF1A
SCHEMBL27355754 0.85 KMT2A (0.44) HPRT1ALDH1A1MEN1KMT2AHIF1A
SCHEMBL27357003 0.83 MEN1 (0.43) HPRT1ALDH1A1MEN1KMT2AHIF1A
SCHEMBL30332600 0.83 HPRT1 (0.47) HPRT1ALDH1A1MEN1KMT2AHIF1A
SCHEMBL27356744 0.82 MEN1 (0.42) HPRT1ALDH1A1MEN1KMT2AHIF1A
SCHEMBL30332595 0.81 HPRT1 (0.45) HPRT1ALDH1A1MEN1KMT2AHIF1A
SCHEMBL27356145 0.81 ALOX5 (0.42) ALDH1A1MEN1KMT2AHIF1ALMNA
SCHEMBL30302747 0.80 ALDH1A1 (0.39) HPRT1ALDH1A1MEN1KMT2AHIF1A
SCHEMBL30332793 0.78 ALDH1A1 (0.43) HPRT1ALDH1A1MEN1KMT2AHIF1A

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-2023063163-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT, PRODUCTION METHOD THEREFOR, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING SAID MIXED POWDER, METHOD FOR SELECTING COMPOUND IN SAID MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2023-04-20 — — WO disclosed
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