SCHEMBL8518244

SCHEMBL8518244

CCSc1ccc(CC(C)(C=O)N2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
FKBP1A P62942 3/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
SLC6A4 P31645 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAOA P21397 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL80420 0.88 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1TSHRALDH1A1RAB9A
SCHEMBL20723880 0.88 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1TSHRALDH1A1RAB9A
SCHEMBL29256744 0.85 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1TSHRALDH1A1RAB9A
SCHEMBL11903911 0.82 SMN1; SMN2 (0.40) SMN1; SMN2MAPK1TSHRALDH1A1FKBP1A
SCHEMBL28411123 0.82 AKR1C3 (0.43) SMN1; SMN2MAPK1ALDH1A1TP53RAB9A
SCHEMBL5323322 0.81 KMT2A (0.40) SMN1; SMN2MAPK1TSHRALDH1A1FKBP1A
SCHEMBL10526749 0.81 SIGMAR1 (0.37) SMN1; SMN2MAPK1TSHRALDH1A1RAB9A
SCHEMBL377702 0.81 SIGMAR1 (0.37) SMN1; SMN2MAPK1TSHRALDH1A1RAB9A
SCHEMBL12613218 0.81 ALDH1A1 (0.42) SMN1; SMN2MAPK1TSHRALDH1A1FKBP1A
Toluene SCHEMBL26110248 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1TSHRALDH1A1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565044-B1 Ultraviolet-curing covering composition with hardwearing properties MITSUBISHI CHEM CORP (JP) 1999-03-10 EP disclosed