SCHEMBL20224945

SCHEMBL20224945

CC(C)CCCc1ccnnc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.33
KCNQ2 O43526 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
CYP2A6 P11509 1/20 0.32
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
FUT7 Q11130 1/20 0.30
HRH1 P35367 2/20 0.30

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
SCHEMBL8566077 0.79 LOXL2 (0.40) LOXL2HSD17B10TDP1L3MBTL1HRH1
SCHEMBL3169642 0.78 HRH1 (0.50) LOXL2GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL12197971 0.76 TDP1 (0.62) TDP1L3MBTL1CYP2A6HRH1
SCHEMBL8271142 0.75 LOXL2 (0.52) LOXL2HSD17B10KCNQ2LMNA
SCHEMBL12830256 0.74 TDP1 (0.56) LOXL2HSD17B10TDP1L3MBTL1LMNA
SCHEMBL22308478 0.74 TDP1 (0.56) LOXL2HSD17B10TDP1L3MBTL1LMNA
Bromide SCHEMBL18838899 0.74 TDP1 (0.61) TDP1L3MBTL1CYP2A6HRH1
SCHEMBL17184443 0.74 LOXL2 (0.61) LOXL2HSD17B10TDP1L3MBTL1KCNQ2
SCHEMBL7075024 0.74 LOXL2 (0.50) LOXL2HSD17B10TDP1L3MBTL1KCNQ2
SCHEMBL9971270 0.73

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
US-20180154332-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION 2018-06-07 US disclosed