SCHEMBL9528293

SCHEMBL9528293

NC(=O)C(CCc1ccccc1)c1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.57
PLA2G2A P14555 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
TRPM8 Q7Z2W7 3/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
HTR1D P28221 5/20 0.49
POLB P06746 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
GAA P10253 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
SLC6A4 P31645 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MDH2 P40926 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
Hydrochloric Acid SCHEMBL20610077 0.83 LTA4H (0.62) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
Hydrochloric Acid SCHEMBL20610072 0.83 LTA4H (0.62) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
Hydrochloric Acid SCHEMBL20610074 0.83 LTA4H (0.62) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL17520563 0.80 LTA4H (0.56) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL20634174 0.79 TRPM8 (0.57) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
Hydrochloric Acid SCHEMBL17500243 0.79 LTA4H (0.55) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL20634163 0.79 TRPM8 (0.57) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL20634172 0.79 TRPM8 (0.57) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL20610249 0.78 LTA4H (0.56) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL20610235 0.78 LTA4H (0.56) LTA4HPLA2G2AMEN1KMT2AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548250-A4 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY 1993-10-27 EP disclosed
EP-0548250-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-06-30 EP disclosed
WO-1992004321-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-03-19 WO disclosed