SCHEMBL7952233

SCHEMBL7952233

OC(CS)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
KDM4E B2RXH2 2/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
MAOB P27338 1/20 0.48
AOC3 Q16853 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
NR4A2 P43354 1/20 0.43

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
SCHEMBL16414613 0.86 TSHR (0.60) SCN1ASCN5ASCN9AKDM4EPRMT5
SCHEMBL16414719 0.86 TSHR (0.60) SCN1ASCN5ASCN9AKDM4EPRMT5
SCHEMBL817445 0.86 TSHR (0.60) SCN1ASCN5ASCN9AKDM4EPRMT5
SCHEMBL4047162 0.86 L3MBTL1 (0.54) KDM4EPRMT5WDR77MAOBAOC3
SCHEMBL5575173 0.85 KDM4E (0.49) SCN1ASCN5ASCN9AKDM4EPRMT5
SCHEMBL773252 0.85 MAOB (0.55) SCN1ASCN5ASCN9AKDM4EPRMT5
SCHEMBL11613592 0.85 KDM4E (0.49) SCN1ASCN5ASCN9AKDM4EPRMT5
SCHEMBL7774040 0.82 L3MBTL1 (0.50) KDM4EPRMT5WDR77MAOBAOC3
SCHEMBL10485700 0.82 KDM4E (0.47) SCN1ASCN5ASCN9AKDM4EPRMT5
SCHEMBL4046553 0.81 KDM4E (0.56) KDM4EMAOBAOC3MRGPRX4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172109-B1 SIDE EFFECT REDUCTION; ADMINISTERING TOPICALLY ALCON LABORATORIES, INC. 2001-01-09 US disclosed
EP-0968183-A2 13-THIA PROSTAGLANDINS FOR USE IN GLAUCOMA THERAPY ALCON LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998039293-A2 13-THIA PROSTAGLANDINS FOR USE IN GLAUCOMA THERAPY ALCON LABORATORIES, INC. (US) 1998-09-11 WO disclosed