SCHEMBL9324877

SCHEMBL9324877

CCCCCCCCCCCCCCCCCCOc1cc(OCCCOc2ccc(OCc3ccccc3)cc2)cc(C(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.54
PLA2G4B P0C869 3/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PLK1 P53350 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL9325186 1.00 PLA2G2A (0.54) PLA2G2APLA2G4BLMNAHPGDMEN1
SCHEMBL9323897 1.00 PLA2G2A (0.54) PLA2G2APLA2G4BLMNAHPGDMEN1
SCHEMBL9167382 0.96 PLA2G2A (0.58) PLA2G2ALMNAHPGDMEN1KMT2A
SCHEMBL31007012 0.96 PLA2G2A (0.58) PLA2G2ALMNAHPGDMEN1KMT2A
SCHEMBL9327294 0.94 NR4A2 (0.55) PLA2G2APLA2G4BLMNAHPGDMEN1
SCHEMBL9323928 0.93 LMNA (0.60) LMNAHPGDMEN1KMT2ANPC1
SCHEMBL9323915 0.89 PLA2G2A (0.56) PLA2G2APLA2G4BMEN1KMT2ATP53
SCHEMBL9325248 0.89 PLA2G2A (0.70) PLA2G2APLA2G4BMEN1KMT2ATP53
SCHEMBL9325267 0.89 PLA2G2A (0.70) PLA2G2APLA2G4BMEN1KMT2ATP53
SCHEMBL9324878 0.89 PLA2G2A (0.70) PLA2G2APLA2G4BMEN1KMT2ATP53

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
JP-6092936-A None JP disclosed
US-5374772-A Skin disorders, antiinflammatory agents, cardiovascular disorders HOFFMANN-LAROCHE INC. (US) 1994-12-20 US disclosed
EP-0601385-A1 Disubstituted benzoic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP disclosed
JP-H0692936-A PYRIDYLOXY-NAPHTHALENES BAYER AG 1994-04-05 JP disclosed