SCHEMBL4599459

SCHEMBL4599459

O=C(Oc1cccc(Cl)c1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.68
HSD17B10 Q99714 1/20 0.68
FKBP1A P62942 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.62
TSHR P16473 2/20 0.62
KMT2A Q03164 3/20 0.62
RAB9A P51151 2/20 0.62
MEN1 O00255 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
POLB P06746 1/20 0.59
TRPA1 O75762 1/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL28137837 0.86 TRPA1 (0.61) SMN1; SMN2TSHRKMT2ARAB9AMEN1
SCHEMBL28372646 0.82 EPHX1 (0.68) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL4598628 0.82 EPHX1 (0.68) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL4599565 0.82 EPHX1 (0.68) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL4197062 0.81 EPHX1 (1.00) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL5101418 0.81 KMT2A (0.82) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL4599121 0.78 ALDH1A1 (0.65) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL4599457 0.78 HSD17B10 (0.66) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL31323057 0.78 SMN1; SMN2 (0.88) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL9472899 0.77 RAB9A (0.62) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A

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-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed