SCHEMBL5046973

SCHEMBL5046973

CCCCCc1ccc(CNC(=O)c2cccc(-c3ccc(C(Cc4ccc(Cl)cc4)NC(=O)C(=O)O)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 11/20 0.47
EPHX2 P34913 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
PPARA Q07869 1/20 0.43
PPARG P37231 1/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.40

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
SCHEMBL5047048 0.86 EPHX2 (0.41) EPHX2NR1H4PPARAPPARGMME
SCHEMBL6022309 0.85 EPHX2 (0.46) UTS2REPHX2NR1H4PPARAPPARG
SCHEMBL5045759 0.82 UTS2R (0.51) UTS2REPHX2NR1H4MMEACE
SCHEMBL5047990 0.81 EPHX2 (0.51) EPHX2NR1H4RAB9ASMN1; SMN2SCN2A
SCHEMBL1854934 0.81 EPHX2 (0.49) UTS2REPHX2NR1H4RAB9ASMN1; SMN2
SCHEMBL5048720 0.80 PPARG (0.50) EPHX2PPARAPPARGRAB9ASMN1; SMN2
SCHEMBL5039519 0.80 UTS2R (0.48) UTS2RMMEACESUCNR1
SCHEMBL5047162 0.78 HDAC1 (0.44) EPHX2PPARAPPARGSMN1; SMN2MME
SCHEMBL5039660 0.78 HDAC1 (0.44) EPHX2PPARAPPARGSMN1; SMN2MME
SCHEMBL5043909 0.78 EPHX2 (0.47) EPHX2NR1H4RAB9ASMN1; SMN2SCN2A

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed