SCHEMBL6130895

SCHEMBL6130895

CCCC(F)OC(=O)Nc1cccc(C(O)C(=O)OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
HPGD P15428 4/20 0.41
PPARG P37231 1/20 0.41
ALOX15 P16050 1/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
CASR P41180 2/20 0.39
TSHR P16473 2/20 0.39
UTS2R Q9UKP6 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6130860 0.76 HPGD (0.47) HPGDALOX15RAB9ALMNAMEN1
SCHEMBL2349796 0.76 IDO1 (0.46) PPARGMEN1KMT2A
SCHEMBL4607143 0.76 PDK1 (0.49) RAB9ALMNAMEN1KMT2AMAPK1
SCHEMBL6130848 0.74 RAB9A (0.48) HPGDRAB9ALMNAMEN1KMT2A
SCHEMBL9813603 0.73 KDM4E (0.52) KDM4EHPGDALOX15RAB9ALMNA
SCHEMBL3682275 0.72 KMT2A (0.53) LMNAMEN1KMT2AMAPK1
SCHEMBL2853118 0.68 KMT2A (0.44) KDM4ERAB9ALMNAMEN1KMT2A
SCHEMBL10573282 0.68 MEN1 (0.50) KDM4EHPGDALOX15RAB9ALMNA
SCHEMBL14986223 0.68 HPGD (0.61) KDM4EHPGDALOX15RAB9ALMNA
SCHEMBL698273 0.68 HPGD (0.47) KDM4EHPGDALOX15RAB9ALMNA

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-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 EP disclosed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO disclosed