SCHEMBL19239997

SCHEMBL19239997

CCCN1CCS/C1=C\C=C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.33
▸ NPC1 O15118 6/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ MAPT P10636 6/20 0.33
▸ RAB9A P51151 6/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ SMN1; SMN2 Q16637 6/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TNNI3 P19429 2/20 0.33
▸ TNNT2 P45379 2/20 0.33
▸ TNNC1 P63316 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ FURIN P09958 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
SCHEMBL19240004 0.81 ALDH1A1 (0.48) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL19240013 0.81 ALDH1A1 (0.36) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13683572 0.70 MEN1 (0.33) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL4975560 0.66 — —
SCHEMBL14063793 0.64 MEN1 (0.46) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13683570 0.64 MEN1 (0.38) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL19038912 0.63 ALDH1A1 (0.47) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL19038901 0.63 ALDH1A1 (0.47) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13237187 0.62 PTPN1 (0.34) MEN1KMT2APTPN1ACP1CDC25B
SCHEMBL25477353 0.60 ALDH1A1 (0.35) MEN1NPC1ALDH1A1MAPTRAB9A

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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