SCHEMBL8615231

SCHEMBL8615231

CCCCCCCC/C=C\CCCCCCCC(=O)NCCCSc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.58
FAAH O00519 2/20 0.54
GPR119 Q8TDV5 1/20 0.53
KDM4E B2RXH2 2/20 0.52
CNR1 P21554 4/20 0.52
HPGD P15428 4/20 0.52
CNR2 P34972 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
BLM P54132 2/20 0.51
TRPV1 Q8NER1 1/20 0.51
MEN1 O00255 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SLC6A5 Q9Y345 1/20 0.51
NPC1 O15118 1/20 0.51
GMNN O75496 1/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL8615235 1.00 EPHX2 (0.58) EPHX2FAAHGPR119KDM4ECNR1
SCHEMBL8616688 0.93 HPGD (0.58) EPHX2FAAHHPGDALDH1A1MAPT
SCHEMBL8613529 0.93 HPGD (0.58) EPHX2FAAHHPGDALDH1A1MAPT
SCHEMBL9036946 0.93 HPGD (0.58) EPHX2FAAHHPGDALDH1A1MAPT
SCHEMBL8615172 0.93 HPGD (0.58) EPHX2FAAHHPGDALDH1A1MAPT
SCHEMBL8621032 0.93 HPGD (0.58) EPHX2FAAHHPGDALDH1A1MAPT
SCHEMBL8621478 0.93 HPGD (0.58) EPHX2FAAHHPGDALDH1A1MAPT
SCHEMBL8619539 0.92 HPGD (0.59) EPHX2FAAHHPGDALDH1A1MAPT
SCHEMBL8619397 0.90 HPGD (0.57) EPHX2FAAHHPGDALDH1A1MAPT
SCHEMBL8616296 0.90 HPGD (0.57) EPHX2FAAHHPGDALDH1A1MAPT

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-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed