SCHEMBL15069831

SCHEMBL15069831

O=C(c1ccc(C#CCN2CCCC2)cc1)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
LTA4H P09960 1/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPK14 Q16539 1/20 0.38
MAPK1 P28482 2/20 0.37
RAB9A P51151 1/20 0.37
PKM P14618 1/20 0.36
MMP13 P45452 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
SCHEMBL15088680 0.86 KMT2A (0.39) KMT2AMEN1HRH3PSMB1PSMB5
SCHEMBL15088677 0.86 MEN1 (0.36) LMNAKMT2AMEN1HRH3PSMB1
SCHEMBL1186911 0.80 MEN1 (0.52) LMNAKMT2AMEN1RAB9A
SCHEMBL15088620 0.80 HRH4 (0.47) KMT2AMEN1HRH3PSMB1PSMB5
SCHEMBL7362854 0.77 HRH3 (0.42) KMT2AMEN1HRH3
SCHEMBL17666652 0.77 MEN1 (0.41) KMT2AMEN1RAB9A
SCHEMBL11767308 0.76 ELANE (0.52) LMNAKMT2AMEN1HRH4ALDH1A1
SCHEMBL15067203 0.75 HRH4 (0.45) KMT2AMEN1HRH3PSMB1PSMB5
SCHEMBL15088637 0.75 HRH4 (0.45) KMT2AMEN1HRH3PSMB1PSMB5
SCHEMBL15067474 0.75 MEN1 (0.47) LMNAKMT2AMEN1RAB9A

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 3 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
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