SCHEMBL31082233

SCHEMBL31082233

C/C(=C/C(=O)O)C(=O)O.Cc1ccccc1Nc1ccccc1C.Cc1ccccc1Nc1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ AKR1C3 P42330 2/20 0.44
▸ AKR1B10 O60218 1/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ DHFR P00374 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MPO P05164 1/20 0.44

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
Oxalic Acid SCHEMBL31082365 0.82 RAB9A (0.59) HPGDALDH1A1RAB9ANPC1CYP1A2
Maleic Acid SCHEMBL31082247 0.80 RAB9A (0.53) HPGDALDH1A1HTTRAB9ANPC1
Fumaric Acid SCHEMBL31082304 0.80 RAB9A (0.53) HPGDALDH1A1HTTRAB9ANPC1
SCHEMBL5174596 0.80 RAB9A (0.65) HPGDALDH1A1HTTRAB9ANPC1
Bicarbonate SCHEMBL31082205 0.80 RAB9A (0.61) HPGDALDH1A1RAB9ANPC1CYP1A2
SCHEMBL30946941 0.79 KMT2A (0.43) HPGDALDH1A1HTTCYP1A2KDM4E
SCHEMBL31082360 0.77 HTT (0.46) ALDH1A1HTTCYP1A2KDM4EPOLB
Biphenyl SCHEMBL21409619 0.76 HTT (0.56) ALDH1A1HTTKDM4EPOLBKMT2A
Naphthalene SCHEMBL27557572 0.76 HTT (0.56) ALDH1A1HTTCYP1A2KDM4EPOLB
SCHEMBL29110388 0.76 HPGD (0.61) HPGDALDH1A1RAB9ANPC1CYP1A2

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
CN-118620392-A Composition for forming silicon-containing resist underlayer film and pattern forming method 信越化学工业株式会社 2024-09-10 — — CN disclosed
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