SCHEMBL15067065

SCHEMBL15067065

O=C(c1ccc(OC2CCCCO2)cc1)c1ncc(O)cn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TNK2 Q07912 3/20 0.37
DHFR P00374 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PTPN1 P18031 1/20 0.37
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
LMNA P02545 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PDE10A Q9Y233 1/20 0.35
PDE4B Q07343 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
SCHEMBL15068100 0.89 MEN1 (0.45) MEN1KMT2ATNK2DHFRSMN1; SMN2
SCHEMBL1186911 0.84 MEN1 (0.52) MEN1KMT2ATNK2SMN1; SMN2NPC1
SCHEMBL15088718 0.84 MEN1 (0.39) MEN1KMT2ATNK2DHFRSMN1; SMN2
SCHEMBL15067841 0.82 MEN1 (0.46) MEN1KMT2ANPC1RAB9A
SCHEMBL15088638 0.80 KMT2A (0.45) MEN1KMT2ATNK2DHFRSMN1; SMN2
SCHEMBL15067050 0.80 MEN1 (0.45) MEN1KMT2ATNK2DHFRSMN1; SMN2
SCHEMBL11767308 0.79 ELANE (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5725421 0.78 LSS (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL21780925 0.78 MEN1 (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL15067474 0.78 MEN1 (0.47) MEN1KMT2ATNK2SMN1; SMN2NPC1

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 6 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
EP-2797889-A1 NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Centaurus Biopharma Co., Ltd. (CN) 2014-11-05 EP 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
WO-2013097773-A1 NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-07-04 WO disclosed