SCHEMBL8091542

SCHEMBL8091542

CCCC(Cc1ccc(C(=O)OC)cc1)C(=O)Nc1cc(C(=O)N(CC)CCN(CC)CC)ccc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 1/20 0.37
LNPEP Q9UIQ6 6/20 0.36
PDE6D O43924 1/20 0.36
ALDH1A1 P00352 6/20 0.36
LMNA P02545 3/20 0.36
GLA P06280 2/20 0.36
GAA P10253 1/20 0.36
ERAP2 Q6P179 3/20 0.36
POLB P06746 1/20 0.35
AGER Q15109 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL8091546 0.80 PDE6D (0.42) KDM4EHSP90AA1HSP90AB1PDE6DALDH1A1
SCHEMBL8095271 0.75 HSP90AA1 (0.44) KDM4EHSP90AA1HSP90AB1ALDH1A1GAA
SCHEMBL8091535 0.68 HSP90AA1 (0.53) KMT2AHSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL24843670 0.66 LOXL2 (0.53) KDM4EKMT2AALDH1A1GAAMAPT
SCHEMBL8090021 0.65 PDK1 (0.53) HSP90AA1HSP90AB1ALDH1A1GAAMAPT
SCHEMBL24835214 0.62 CYP4A11 (0.58) KDM4EKMT2AALDH1A1LMNAGAA
SCHEMBL7669610 0.62 ALDH1A1 (0.61) KMT2AHSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL7622296 0.62 CYP4A11 (0.54) KMT2ALNPEPERAP2POLBMAPT
SCHEMBL29559352 0.61 SMN1; SMN2 (0.49) KDM4EKMT2AALDH1A1LMNAMAPT
SCHEMBL22897675 0.61 SMN1; SMN2 (0.49) KDM4EKMT2AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807628-B1 Aromatic compound and pharmaceutical composition KUREHA CHEMICAL IND CO LTD (JP) 2000-12-20 EP disclosed
EP-0807628-A1 Aromatic compound and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1997-11-19 EP disclosed