SCHEMBL16627145

SCHEMBL16627145

COc1ccc(C(OCc2ccc(C)nc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KIF11 P52732 3/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.38
FFAR1 O14842 1/20 0.38
HTT P42858 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
KMT2A Q03164 1/20 0.37
SYK P43405 1/20 0.37
MAPT P10636 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL16624686 0.86 NPC1 (0.44) LTA4HNPC1RAB9AKIF11KCNH2
SCHEMBL16627140 0.84 KIF11 (0.41) LTA4HNPC1RAB9AKIF11SMN1; SMN2
SCHEMBL16627149 0.83 GAA (0.48) LTA4HSMN1; SMN2HTTKMT2A
SCHEMBL19020521 0.82 KIF11 (0.50) LTA4HKIF11KCNH2SMN1; SMN2LMNA
SCHEMBL28241152 0.81 LTA4H (0.52) LTA4HNPC1RAB9AKIF11KCNH2
SCHEMBL16624847 0.81 CASP3 (0.50) NPC1RAB9AKIF11KCNH2SMN1; SMN2
SCHEMBL16628094 0.81 CYP11B1 (0.45) NPC1RAB9ASMN1; SMN2LMNAFFAR1
Hydrochloric Acid SCHEMBL30186367 0.80 LTA4H (0.50) LTA4HNPC1RAB9AKIF11KCNH2
SCHEMBL16624800 0.80 MEN1 (0.42) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL17954315 0.80 CASP3 (0.46) NPC1RAB9ASMN1; SMN2FFAR1MAPT

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-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed