SCHEMBL9508267

SCHEMBL9508267

O=C(O)C(=O)Cc1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
F2 P00734 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
C1S P09871 1/20 0.46
PRSS3 P35030 1/20 0.46
MAPK8 P45983 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
RIPK1 Q13546 1/20 0.41
KCNQ2 O43526 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL154429 0.83 KDM4E (0.55) ALDH1A1MAOAMAOBMAPK8CES2
SCHEMBL28638604 0.83 PIK3CA (0.55) ALDH1A1CYP1A2CYP3A4CYP2C19F2
SCHEMBL6864288 0.81 CES2 (0.46) ALDH1A1MAOAMAOBMAPK8SIGMAR1
SCHEMBL8691992 0.81 MAOA (0.51) ALDH1A1MAOAMAOBMAPK8SIGMAR1
SCHEMBL7638353 0.78 MAOA (0.44) MAOAMAOBMAPK8SIGMAR1RIPK1
SCHEMBL1699590 0.78 MAOA (0.50) ALDH1A1MAOAMAOBMAPK8SIGMAR1
SCHEMBL29718749 0.78 CA2 (0.52) ALDH1A1MAOAMAOBMAPK8CES2
SCHEMBL2173469 0.78 MAPK8 (0.44) ALDH1A1MAOAMAOBMAPK8SIGMAR1
SCHEMBL1115081 0.78 CA2 (0.52) ALDH1A1MAOAMAOBMAPK8CES2
SCHEMBL4685450 0.78 MAPK8 (0.44) ALDH1A1MAOAMAOBMAPK8SIGMAR1

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
EP-0206460-B1 L-PHENYLALANINE DEHYDROGENASE AND USE THEREOF SAGAMI CHEMICAL RESEARCH CENTER (JP) 1993-08-11 EP disclosed
EP-0513872-A1 L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-11-19 EP disclosed
US-4849345-A L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-07-18 US disclosed
EP-0206460-A2 L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-30 EP disclosed