SCHEMBL9167382

SCHEMBL9167382

CCCCCCCCCCCCCCCCCCOc1cc(OCc2ccccc2)cc(C(=O)OC)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.58
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMPD1 P17405 4/20 0.50
CNR2 P34972 2/20 0.50
CNR1 P21554 1/20 0.50
NR4A2 P43354 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 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
SCHEMBL31007012 1.00 PLA2G2A (0.58) PLA2G2ALMNAHPGDMEN1KMT2A
SCHEMBL9323897 0.96 PLA2G2A (0.54) PLA2G2ALMNAHPGDMEN1KMT2A
SCHEMBL9324877 0.96 PLA2G2A (0.54) PLA2G2ALMNAHPGDMEN1KMT2A
SCHEMBL9325186 0.96 PLA2G2A (0.54) PLA2G2ALMNAHPGDMEN1KMT2A
SCHEMBL9327294 0.95 NR4A2 (0.55) PLA2G2ALMNAHPGDMEN1KMT2A
SCHEMBL2650902 0.91 LMNA (0.60) LMNAHPGDMEN1KMT2ASMPD1
SCHEMBL9327299 0.89 SMPD1 (0.48) PLA2G2ALMNAHPGDSMPD1NR4A2
SCHEMBL9323928 0.88 LMNA (0.60) LMNAHPGDMEN1KMT2ANR4A2
SCHEMBL9167771 0.88 PLA2G2A (0.76) PLA2G2AMEN1KMT2ANR4A2
SCHEMBL391547 0.88 MEN1 (0.71) LMNAHPGDMEN1KMT2ASMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 US disclosed
US-5298652-A N-substituted glycines, inhibitors of phospholipase A2 HOFFMANN-LA ROCHE INC. (US) 1994-03-29 US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 EP disclosed