SCHEMBL4454599

SCHEMBL4454599

O=c1[nH][s+]([O-])n(-c2cc3cc(CCc4ccc(C(F)(F)F)cc4)ccc3cc2O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.37
GPR84 Q9NQS5 1/20 0.35
DHODH Q02127 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
FFAR1 O14842 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HTR2B P41595 1/20 0.32
NR3C2 P08235 1/20 0.32
MAOB P27338 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
COMT P21964 1/20 0.30

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
SCHEMBL4736314 0.79
SCHEMBL4455622 0.78 DDB1 (0.31) DHODH
SCHEMBL629514 0.71 PTPN1 (0.58) DAOGPR84COMT
SCHEMBL27548724 0.63 TAAR1 (0.50) DAODPP8TAAR1MAOB
SCHEMBL3217931 0.60 PTPN1 (0.49) DAOCOMT
Luvadaxistat SCHEMBL14719667 0.59 DAO (0.48) DAOGPR84DHODHTAAR1HTR2B
SCHEMBL934227 0.59 TAAR1 (0.73) DAOTAAR1MAOB
SCHEMBL10901435 0.58 KIF11 (0.64) TAAR1MAOBCA2
SCHEMBL3172042 0.57 MAOB (0.42) DAOFFAR1TAAR1MAOB
SCHEMBL29275206 0.56 ESR1 (0.51) DAOTAAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089026-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY Novartis AG (CH) 2009-08-19 EP disclosed
WO-2008070552-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY NOVARTIS AG (CH) 2008-06-12 WO disclosed