SCHEMBL8799604

SCHEMBL8799604

COc1ccccc1NC(=O)CC(CC(=O)O)c1ccc(Cl)c(Cl)c1.O=C1CC(c2ccc(Cl)c(Cl)c2)CC(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
HPGD P15428 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7811262 0.86 FNTA (0.53) FNTAFNTBHPGDMEN1KMT2A
SCHEMBL8798404 0.83 PRKCZ (0.40) FNTAFNTBMEN1KMT2AALDH1A1
SCHEMBL8799599 0.81 FNTA (0.49) FNTAFNTBHPGDMEN1KMT2A
SCHEMBL7811407 0.80 FNTA (0.38) FNTAFNTBHPGDMEN1KMT2A
SCHEMBL7815285 0.79 LMNA (0.37) MAPK1ALDH1A1LMNA
SCHEMBL8799600 0.77 HPGD (0.48) HPGDMEN1KMT2ANPSR1USP2
SCHEMBL7812248 0.69 MTNR1A (0.49) FNTAFNTBHPGDHTTTP53
SCHEMBL7807756 0.69 FNTA (0.69) FNTAFNTBHPGDMEN1KMT2A
SCHEMBL657183 0.67 SLC6A2 (0.44) NPSR1
SCHEMBL12268167 0.66 FNTA (0.47) FNTAFNTBALDH1A1LMNAHTT

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-0773929-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1997-05-21 EP disclosed
WO-1996039386-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 WO disclosed