SCHEMBL19240013

SCHEMBL19240013

CCCN1CCS/C1=C\C=C1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.36
▸ MAPT P10636 8/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ POLB P06746 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 6/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ NPC1 O15118 5/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ HTT P42858 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TNNI3 P19429 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL19239986 0.90 ALDH1A1 (0.36) ALDH1A1MAPTL3MBTL1POLBKMT2A
SCHEMBL19240020 0.81 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1POLBKMT2A
SCHEMBL19239997 0.81 MEN1 (0.33) ALDH1A1MAPTL3MBTL1POLBKDM4E
SCHEMBL19240012 0.75 ALDH1A1 (0.36) ALDH1A1MAPTL3MBTL1POLBKDM4E
SCHEMBL19239995 0.74 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1POLBKDM4E
SCHEMBL13683572 0.70 MEN1 (0.33) ALDH1A1MAPTL3MBTL1POLBKMT2A
SCHEMBL4975560 0.66 — —
SCHEMBL19240006 0.65 APP (0.30) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL14063793 0.64 MEN1 (0.46) ALDH1A1MAPTL3MBTL1POLBKDM4E
SCHEMBL13683570 0.64 MEN1 (0.38) ALDH1A1MAPTL3MBTL1POLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
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