SCHEMBL7986129

SCHEMBL7986129

N#Cc1ccc(C(=O)NCc2ccc(OCCCCCCOc3ccc(CNC(=O)c4ccc(C#N)cc4)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.64
PPARA Q07869 2/20 0.61
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HDAC1 Q13547 2/20 0.52
NR1H4 Q96RI1 2/20 0.52
HDAC2 Q92769 1/20 0.52
KDM1A O60341 1/20 0.52
MAPK14 Q16539 1/20 0.51
MAOA P21397 1/20 0.51
HPGD P15428 1/20 0.50
MMP3 P08254 1/20 0.50
AKR1B1 P15121 1/20 0.49

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
SCHEMBL7989749 1.00 EPHX2 (0.64) EPHX2PPARALMNASMN1; SMN2ALDH1A1
SCHEMBL7986757 1.00 EPHX2 (0.64) EPHX2PPARALMNASMN1; SMN2ALDH1A1
SCHEMBL7982523 0.99 EPHX2 (0.65) EPHX2PPARALMNASMN1; SMN2ALDH1A1
SCHEMBL7984857 0.96 EPHX2 (0.65) EPHX2PPARALMNASMN1; SMN2ALDH1A1
SCHEMBL7990811 0.94 EPHX2 (0.67) EPHX2PPARALMNASMN1; SMN2ALDH1A1
SCHEMBL7382982 0.90 EPHX2 (0.58) EPHX2PPARALMNASMN1; SMN2ALDH1A1
SCHEMBL7982663 0.86 RAB9A (0.58) EPHX2MAPK14
SCHEMBL7983889 0.86 MAOB (0.54) LMNASMN1; SMN2ALDH1A1
SCHEMBL7983783 0.86 MAOB (0.54) LMNASMN1; SMN2ALDH1A1
SCHEMBL7982716 0.86 MAOB (0.54) LMNASMN1; SMN2ALDH1A1

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-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed