SCHEMBL1869455

SCHEMBL1869455

O=C(NCC1CCOCC1)C1OCCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 3/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CA9 Q16790 1/20 0.35
RORC P51449 2/20 0.35
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL9956855 0.74 CYP2D6 (0.53) EPHX1TDP1NPC1RAB9ACA12
Hydrochloric Acid SCHEMBL21640704 0.72 EPHX1 (0.49) EPHX1TDP1NPC1RAB9ARORC
SCHEMBL13284765 0.72 PRCP (0.49) EPHX1MEN1KMT2A
SCHEMBL1870892 0.72 HPGD (0.34) HPGDUSP2SMN1; SMN2
SCHEMBL18028783 0.72 TDP1 (0.72) EPHX1TDP1NPC1RAB9ACA12
SCHEMBL3394009 0.72 NPC1 (0.43) EPHX1TDP1NPC1RAB9ANAMPT
SCHEMBL18936070 0.72 TDP1 (0.43) EPHX1TDP1NPC1RAB9ACA12
SCHEMBL1438739 0.71 EPHX1 (0.51) EPHX1NPC1RAB9ASMN1; SMN2RORC
SCHEMBL2930782 0.71 NAMPT (0.42) EPHX1TDP1NPC1RAB9AHPGD
SCHEMBL13393118 0.70 EPHX1 (0.50) EPHX1TDP1RORCNAMPTPDE8B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051961-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND RELATED DISEASES CADILA HEALTHCARE LIMITED (IN) 2011-05-05 WO claimed