SCHEMBL4455622

SCHEMBL4455622

O=c1[nH][s+]([O-])n(-c2cc3cc(CCCOCCO)ccc3cc2O)c1=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
DHODH Q02127 2/20 0.31
TPSAB1 Q15661 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 0.82
SCHEMBL3572466 0.78
SCHEMBL4454599 0.78 DAO (0.37) DHODH
SCHEMBL4648799 0.73 PTPN1 (0.38) DDB1CRBN
SCHEMBL629366 0.72 PTPN1 (0.59) DDB1CRBN
SCHEMBL14299363 0.67 CYP1A2 (0.53) TPSAB1
SCHEMBL27873878 0.60 CYP1A2 (0.51) TPSAB1
SCHEMBL9975454 0.60 ADRB2 (0.44)
SCHEMBL629274 0.59 PTPN1 (0.60)
SCHEMBL630220 0.59 BCHE (0.37) DHODH

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