SCHEMBL8828015

SCHEMBL8828015

CC(Oc1nc(-c2ccccc2)cc(-c2ccccc2)c1-c1ccc(O)cc1)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NTSR1 P30989 1/20 0.41
PIM1 P11309 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA1 P30542 1/20 0.38
ESR1 P03372 4/20 0.38
SQOR Q9Y6N5 4/20 0.38
ESR2 Q92731 3/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 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
SCHEMBL8808029 0.77 PTPN1 (0.37) KMT2AMEN1NTSR1ADORA1ESR1
SCHEMBL8828012 0.75 ADRA2A (0.40) KMT2AMEN1NTSR1ALDH1A1SMN1; SMN2
SCHEMBL4564978 0.72 ALDH1A1 (0.53) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28452051 0.68 MEN1 (0.59) KMT2AMEN1NTSR1PIM1L3MBTL1
SCHEMBL6632600 0.66 ALOX15 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11121142 0.65 KMT2A (0.35) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1146379 0.65 ALDH1A1 (0.53) KMT2AMEN1PIM1L3MBTL1SQOR
SCHEMBL1146479 0.64 ALDH1A1 (0.52) KMT2AMEN1L3MBTL1SQORALDH1A1
SCHEMBL4258084 0.64 LRRK2 (0.47) PIM1ALDH1A1SMN1; SMN2MAPK1CDC7
SCHEMBL22208252 0.64 SQOR (0.84) KMT2AMEN1PIM1L3MBTL1ADORA1

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-5672609-A POSTMENOPAUSAL SYNDROME; ANTILIPEMIC AND -CARCINOGENIC AGENTS; OSTEOPOROSIS; CARDIOTONIC AGENTS; RESTENOSIS; SIDE EFFECT REDUCTION COMPARED TO ESTROGEN ELI LILLY AND COMPANY (US) 1997-09-30 US claimed