SCHEMBL3456543

SCHEMBL3456543

COC(OC)(C(=O)c1ccccc1)c1ccccc1.CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
TSHR P16473 2/20 0.70
MAPK1 P28482 1/20 0.70
CES1 P23141 1/20 0.53
HRH3 Q9Y5N1 1/20 0.39
KMT2A Q03164 5/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
FKBP1A P62942 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
Acetophenone SCHEMBL21625760 0.84 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL29051653 0.84 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
Biphenyl SCHEMBL15988145 0.84 ALDH1A1 (0.85) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL5049726 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1CES1
SCHEMBL14246539 0.84 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL27554 0.84 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
Hydrochloric Acid SCHEMBL727298 0.83 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL1470523 0.82 CES1 (0.73) ALDH1A1SMN1; SMN2TSHRMAPK1CES1
SCHEMBL21824684 0.81 ALDH1A1 (0.94) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
Formaldehyde SCHEMBL28406090 0.81 ALDH1A1 (0.94) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3

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
EP-1572467-B1 CURING INCA DIGITAL PRINTERS LTD (GB) 2019-10-23 EP disclosed
EP-2206608-B1 Curing INCA DIGITAL PRINTERS LTD (GB) 2015-08-19 EP disclosed
EP-2206608-A1 Curing Inca Digital Printers Limited (GB) 2010-07-14 EP disclosed
EP-0611783-A1 Copolymers of (meth)acryloxy-alkyl-siloxysilane and alkyl(meth)acrylates and the use thereof as pressure sensitive adhesives CIBA-GEIGY AG (CH) 1994-08-24 EP disclosed