SCHEMBL20182270

SCHEMBL20182270

CCCCCCNC(=O)C(Cc1c[nH]c2ccc(O)cc12)NC(=O)Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.58
MMP2 P08253 3/20 0.55
MMP8 P22894 3/20 0.55
MMP1 P03956 2/20 0.55
MMP7 P09237 1/20 0.55
MMP9 P14780 1/20 0.54
SPR P35270 1/20 0.53
HDAC3 O15379 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC2 Q92769 4/20 0.51
NCOR2 Q9Y618 4/20 0.51
FAAH O00519 1/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL20168498 0.90 SPR (0.51) TRPV1SPRHDAC3HDAC1HDAC2
SCHEMBL20168496 0.90 SPR (0.51) TRPV1SPRHDAC3HDAC1HDAC2
SCHEMBL1131628 0.86 TRPV1 (0.72) TRPV1SPRFAAHPTGS2
SCHEMBL28314856 0.86 TRPV1 (0.58) TRPV1SPRFAAHPTGS2
SCHEMBL28314855 0.86 TRPV1 (0.58) TRPV1SPRFAAHPTGS2
SCHEMBL21470293 0.84 TRPV1 (0.70) TRPV1SPRFAAHPTGS2
SCHEMBL20182419 0.84 TRPV1 (0.70) TRPV1SPRFAAHPTGS2
SCHEMBL3813867 0.83 TRPV1 (0.57) TRPV1SPR
SCHEMBL3816115 0.83 TRPV1 (0.57) TRPV1SPR
SCHEMBL23552961 0.82 SPR (0.70) TRPV1SPRFAAHPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018094005-A1 MYELOPEROXIDASE IMAGING AGENTS THE GENERAL HOSPITAL CORPORATION (US) 2018-05-24 WO disclosed