SCHEMBL8799599

SCHEMBL8799599

COc1ccccc1NC(=O)CC(CC(=O)O)c1ccc(Cl)c(Cl)c1.O=C(O)CC(CC(=O)OC(=O)CC(CC(=O)O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.49
FNTB P49356 4/20 0.49
HPGD P15428 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.45
KDM4E B2RXH2 3/20 0.45
RECQL P46063 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK10 P53779 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL8799600 0.96 HPGD (0.48) HPGDALDH1A1LMNANPSR1HTT
SCHEMBL7811262 0.95 FNTA (0.53) FNTAFNTBHPGDALDH1A1LMNA
SCHEMBL8799604 0.81 FNTA (0.42) FNTAFNTBHPGDALDH1A1LMNA
SCHEMBL8798403 0.80 PRKCZ (0.48) FNTAFNTBALDH1A1LMNAHTT
SCHEMBL657182 0.80 PRKCZ (0.48) FNTAFNTBALDH1A1LMNAHTT
SCHEMBL12268167 0.78 FNTA (0.47) FNTAFNTBALDH1A1LMNAHTT
SCHEMBL7812248 0.77 MTNR1A (0.49) FNTAFNTBHPGDHTT
SCHEMBL7807756 0.77 FNTA (0.69) FNTAFNTBHPGDALDH1A1MEN1
SCHEMBL2471681 0.73 GAA (0.56) ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL692174 0.72 LMNA (0.49) ALDH1A1LMNAHTTMAPTRAB9A

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