SCHEMBL4049802

SCHEMBL4049802

COc1cccc(S(=O)(=O)NCC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C(NC(=O)c2cc3ccccc3s2)C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MEP1B Q16820 1/20 0.39
MAPK14 Q16539 3/20 0.38
MAPK9 P45984 2/20 0.38
STAT6 P42226 5/20 0.37
STAT5A P42229 3/20 0.37
STAT5B P51692 2/20 0.37
NPY5R Q15761 4/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
NPC1 O15118 1/20 0.35

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
SCHEMBL4052986 0.91 NPY5R (0.44) POLBMAPK14MAPK9STAT6STAT5A
SCHEMBL4050227 0.91 STAT6 (0.41) POLBSTAT6STAT5ASTAT5BNPY5R
SCHEMBL4055537 0.90 TRPV4 (0.41) ALDH1A1POLBSTAT6STAT5ASTAT5B
SCHEMBL4052494 0.89 TRPV4 (0.42) MAPK14MAPK9STAT6STAT5ASTAT5B
SCHEMBL4050971 0.88 STAT6 (0.37) STAT6STAT5ASTAT5BNPY5R
SCHEMBL4053906 0.88 NPY5R (0.48) LMNAPOLBMAPK14MAPK9STAT6
SCHEMBL4052860 0.87 NPY5R (0.47) POLBSTAT6STAT5ASTAT5BNPY5R
SCHEMBL4056428 0.86 STAT6 (0.38) POLBSTAT6STAT5ASTAT5BNPY5R
SCHEMBL4058747 0.85 CCR1 (0.41) STAT6STAT5ASTAT5BNPY5RTAS1R3
SCHEMBL4053892 0.85 STAT6 (0.40) POLBSTAT6STAT5ASTAT5BNPY5R

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
EP-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 EP claimed
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO claimed
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed