SCHEMBL2935153

SCHEMBL2935153

CCCCCCc1ccc(N2CC(=O)[N+](N3C(=O)CN(c4ccc(CC)cc4O)S3(=O)=O)(N3C(=O)CN(c4ccc(CC(C)C)cc4O)S3(=O)=O)S2(=O)=O)c(O)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.33
PRKCG P05129 5/20 0.32
PRKCB P05771 5/20 0.32
PRKCH P24723 5/20 0.32
PRKCE Q02156 5/20 0.32
PRKCQ Q04759 5/20 0.32
PRKCD Q05655 5/20 0.32
PRKCA P17252 4/20 0.32
KAT8 Q9H7Z6 2/20 0.31
PRKD3 O94806 2/20 0.30
PRKCI P41743 2/20 0.30
PRKCZ Q05513 2/20 0.30
PRKD1 Q15139 2/20 0.30
S1PR1 P21453 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
SCHEMBL2935148 0.77 PTPN1 (0.43) PPARAPRKCGPRKCBPRKCHPRKCE
SCHEMBL3926402 0.66 PTPN1 (0.50) PPARAPRKCGPRKCBPRKCHPRKCE
SCHEMBL3220267 0.65 PTPN1 (0.48) PPARAPRKCGPRKCBPRKCHPRKCE
SCHEMBL3923934 0.63 PTPN1 (0.53)
SCHEMBL27758456 0.60 PPARA (0.42) PPARAPRKCGPRKCBPRKCHPRKCE
SCHEMBL22147320 0.59 NPC1 (0.59) PPARAKAT8
SCHEMBL3919036 0.59 PTPN1 (0.56)
SCHEMBL2936209 0.59 PTPN1 (0.50) PPARAPRKCGPRKCBPRKCHPRKCE
SCHEMBL2459556 0.58 LPL (0.54) PPARA
SCHEMBL9660323 0.58 PPARA (0.64) PPARAKAT8

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-2227245-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS Novartis AG (CH) 2010-09-15 EP disclosed
WO-2009068689-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2009-06-04 WO disclosed