SCHEMBL13485342

SCHEMBL13485342

COC(=O)c1ccc(/C=C(\C#N)c2ccc(/C(C#N)=C/c3ccc(C(=O)OC)cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.67
▸ MAPT P10636 5/20 0.67
▸ KDM4E B2RXH2 4/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ NPC1 O15118 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ NFKB2 Q00653 1/20 0.67
▸ RELA Q04206 1/20 0.67
▸ KMT2A Q03164 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ ESR1 P03372 2/20 0.59
▸ ESR2 Q92731 2/20 0.59
▸ LMNA P02545 2/20 0.54
▸ NQO2 P16083 3/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ MITF O75030 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL10413988 1.00 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL6799049 0.94 ESR1 (0.71) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL6799042 0.94 ESR1 (0.71) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL6799046 0.94 ESR1 (0.71) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL14023145 0.93 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL6806549 0.93 NQO2 (0.65) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL6806547 0.93 NQO2 (0.65) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL6806552 0.93 NQO2 (0.65) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL4900601 0.92 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL4900604 0.92 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100040978-A1 PHOTOSENSITIVE LITHOGRAPHIC PRINTING PLATE MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2010-02-18 — — US disclosed
US-20100040978-A1 PHOTOSENSITIVE LITHOGRAPHIC PRINTING PLATE MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2010-02-18 — — US disclosed
US-20090197202-A1 PHOTOSENSITIVE PLANOGRAPHIC PRINTING PLATE MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-08-06 — — US disclosed
US-20090197202-A1 PHOTOSENSITIVE PLANOGRAPHIC PRINTING PLATE MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-08-06 — — US disclosed
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