SCHEMBL17422844

SCHEMBL17422844

CCCCCCCCCC#CC#CCCCCCCCCC(=O)OC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.54
PTPN7 P35236 4/20 0.50
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
SELP P16109 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PRKCA P17252 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
TP53 P04637 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL17521392 0.82 HMGCR (0.33) HMGCRPTPN7LMNAMAPTMAPK1
SCHEMBL21134751 0.81 LMNA (0.50) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL10398060 0.79 HMGCR (0.61) HMGCRPTPN7LMNAMAPTMAPK1
SCHEMBL10024786 0.79 HMGCR (0.57) HMGCRPTPN7LMNAMAPTMAPK1
SCHEMBL22007563 0.79 LMNA (0.45) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL17422869 0.78 HMGCR (0.55) HMGCRPTPN7LMNAMAPTSELP
SCHEMBL8008522 0.78 HMGCR (0.68) HMGCRPTPN7LMNASELP
SCHEMBL15287851 0.78 HMGCR (0.51) HMGCRPTPN7LMNAMAPTMAPK1
SCHEMBL22006641 0.78 LMNA (0.42) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL5054228 0.77 ALDH1A1 (0.77) HMGCRLMNAALDH1A1PRKCAPRKCE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10101277-B2 Poly(methyl methacrylate)-supported polydiacetylene films as colorimetric and/or fluorescent detectors B.G. NEGEV TECHNOLOGIES & APPLICATIONS LTD. AT BEN-GURION UNIVERSITY (IL) 2018-10-16 US claimed
US-20160041102-A1 POLY(METHYL METHACRYLATE)-SUPPORTED POLYDIACETYLENE FILMS AS COLORIMETRIC AND/OR FLUORESCENT DETECTORS B.G. NEGEV TECHNOLOGIES & APPLICATIONS LTD. AT BEN-GURION UNIVERSITY (IL) 2016-02-11 US claimed
US-10101277-B2 Poly(methyl methacrylate)-supported polydiacetylene films as colorimetric and/or fluorescent detectors B.G. NEGEV TECHNOLOGIES & APPLICATIONS LTD. AT BEN-GURION UNIVERSITY (IL) 2018-10-16 US disclosed
US-20160041102-A1 POLY(METHYL METHACRYLATE)-SUPPORTED POLYDIACETYLENE FILMS AS COLORIMETRIC AND/OR FLUORESCENT DETECTORS B.G. NEGEV TECHNOLOGIES & APPLICATIONS LTD. AT BEN-GURION UNIVERSITY (IL) 2016-02-11 US disclosed
WO-2016005987-A1 POLY (METHYL METHACRYLATE)-SUPPORTED POLYDIACETYLENE FILMS AS COLORIMETRIC AND/OR FLUORESCENT DETECTORS B.G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2016-01-14 WO disclosed