SCHEMBL5259740

SCHEMBL5259740

CCC(=O)Oc1c(NC(=O)Nc2ccccc2S(=O)(=O)c2ccccc2)cccc1Oc1nccc2cnccc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.41
KCNA5 P22460 1/20 0.38
KMT2A Q03164 2/20 0.38
NAMPT P43490 1/20 0.37
P2RY1 P47900 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6667466 0.80 TRPV1 (0.40) TRPV1KCNA5KMT2ANAMPTMEN1
SCHEMBL5261177 0.79 SCN9A (0.41) TRPV1KCNA5KDM4ESMN1; SMN2NSD2
SCHEMBL5253740 0.78 KCNA5 (0.37) TRPV1KCNA5KDM4ESMN1; SMN2NSD2
SCHEMBL6681376 0.77 TRPV1 (0.42) TRPV1KCNA5NAMPT
SCHEMBL5259278 0.77 HTR6 (0.39) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL5252933 0.76 KCNA5 (0.35) TRPV1KCNA5KDM4ESMN1; SMN2NSD2
SCHEMBL5259747 0.75 MEN1 (0.43) TRPV1KCNA5KMT2AMEN1ALDH1A1
SCHEMBL5259734 0.75 MEN1 (0.43) TRPV1KCNA5KMT2AMEN1ALDH1A1
SCHEMBL5262991 0.74 TRPV1 (0.44) TRPV1KCNA5
SCHEMBL5262987 0.74 TRPV1 (0.44) TRPV1KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP claimed
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 EP claimed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 WO claimed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP disclosed