SCHEMBL19239986

SCHEMBL19239986

CCCCCCN1CCS/C1=C\C=C1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPT P10636 6/20 0.36
▸ HTT P42858 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ FAAH O00519 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ TP53 P04637 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
SCHEMBL19240013 0.90 ALDH1A1 (0.36) ALDH1A1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL19240020 0.77 ALDH1A1 (0.47) ALDH1A1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL19239997 0.71 MEN1 (0.33) ALDH1A1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL8775918 0.68 MGLL (0.43) ALDH1A1THRBMAPTHTTKMT2A
SCHEMBL9698433 0.68 MGLL (0.44) ALDH1A1THRBMAPTHTTKMT2A
SCHEMBL19240012 0.66 ALDH1A1 (0.36) ALDH1A1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL19239995 0.65 ALDH1A1 (0.41) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL11180830 0.64 ALDH1A1 (0.41) ALDH1A1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL11474854 0.64 ALDH1A1 (0.41) ALDH1A1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL11190844 0.64 ALDH1A1 (0.41) ALDH1A1MAPTHTTKMT2ASMN1; SMN2

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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