SCHEMBL17089972

SCHEMBL17089972

CC(C)(C)S(=O)(=O)NCCCCCNc1cccc(OCC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.46
PTGER2 P43116 1/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
TP53 P04637 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PLA2G4B P0C869 1/20 0.41
NPC1 O15118 2/20 0.41
FFAR1 O14842 2/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SGMS1 Q86VZ5 1/20 0.39

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
SCHEMBL17089973 0.90 ALDH1A1 (0.47) PKMHTTTP53MTNR1AMTNR1B
SCHEMBL13565808 0.86 LMNA (0.44) PKMHTTLMNAMAPK1MTNR1A
SCHEMBL10113580 0.86 MAPK1 (0.49) PKMHTTLMNAMAPK1TP53
SCHEMBL17090498 0.84 PKM (0.47) PKMHTTLMNAMAPK1PTGER2
SCHEMBL13565817 0.84 THRB (0.46) HTTLMNA
SCHEMBL13565749 0.84 MTNR1A (0.41) PKMLMNAMTNR1AMTNR1BSMN1; SMN2
SCHEMBL13565730 0.84 HDAC1 (0.44) HTTMAPK1MTNR1AMTNR1B
SCHEMBL13565422 0.83 MTNR1A (0.40) PKMLMNAMTNR1AMTNR1BNPC1
SCHEMBL13565431 0.82 HSD17B10 (0.37) PKMHTTLMNAMAPK1MTNR1A
SCHEMBL7802434 0.82 PPARA (0.62) PKMHTTLMNAMAPK1PTGER2

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed