SCHEMBL15088718

SCHEMBL15088718

CC1(C)OB(c2cnc(C(=O)c3ccc(OC4CCCCO4)cc3)nc2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TNK2 Q07912 3/20 0.36
DGAT1 O75907 1/20 0.35
HIF1A Q16665 1/20 0.35
USP30 Q70CQ3 1/20 0.35
HSD11B1 P28845 1/20 0.34
ROCK2 O75116 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
DHFR P00374 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
CXCR2 P25025 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL15067065 0.84 MEN1 (0.46) MEN1KMT2ATNK2NPC1RAB9A
SCHEMBL15068100 0.81 MEN1 (0.45) MEN1KMT2ATNK2HSD11B1NPC1
SCHEMBL8265696 0.80 CA1 (0.43) TNK2HIF1AHSD11B1
SCHEMBL1186911 0.76 MEN1 (0.52) MEN1KMT2ATNK2HSD11B1NPC1
SCHEMBL15067841 0.76 MEN1 (0.46) MEN1KMT2ANPC1RAB9A
SCHEMBL15088638 0.74 KMT2A (0.45) MEN1KMT2ATNK2NPC1RAB9A
SCHEMBL14184918 0.74 CA1 (0.39) TNK2HIF1AHSD11B1
SCHEMBL14184913 0.73 HSD11B1 (0.37) TNK2HIF1AHSD11B1NPC1RAB9A
SCHEMBL21780925 0.73 MEN1 (0.47) MEN1KMT2AHSD11B1NPC1RAB9A
SCHEMBL6922863 0.73 HSD11B1 (0.40) TNK2HIF1AHSD11B1NPC1RAB9A

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
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
WO-2013097773-A1 NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-07-04 WO disclosed