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SCHEMBL20941111

SCHEMBL20941111

c1ccc(-c2cccc(-c3cccc(N(c4ccccc4)c4ccc5c(c4)Oc4ccc6c(c4O5)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ BRCA1 P38398 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL20940991 1.00 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20940366 0.99 ALDH1A1 (0.30) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20940989 0.99 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20941173 0.99 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20941008 0.98 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20941334 0.98 PDK2 (0.30) —
SCHEMBL20941101 0.98 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20940741 0.97 ALDH1A1 (0.30) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20940935 0.97 ALDH1A1 (0.30) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL20941171 0.97 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDALOX15ALOX12

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-2019078443-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 — — WO disclosed