SCHEMBL28455666

SCHEMBL28455666

Cn1c(-c2ccc(OCc3ccccc3)cc2)[c]c2ccc(OCc3ccccc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GSTP1 P09211 2/20 0.46
SRD5A2 P31213 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
ALOX5 P09917 1/20 0.43
MAOB P27338 7/20 0.43
AS3MT Q9HBK9 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NR4A1 P22736 1/20 0.41

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
SCHEMBL5448369 0.70 MEN1 (0.53) RAB9ANPC1MEN1KMT2ASRD5A2
SCHEMBL197017 0.70 LMNA (0.72) RAB9ANPC1MEN1KMT2AGSTP1
SCHEMBL1855831 0.69 MAOB (0.62) RAB9ANPC1MEN1KMT2ASRD5A2
SCHEMBL28453850 0.68 ALOX5 (0.49) RAB9AGSTP1SRD5A2ALOX5MAOB
SCHEMBL23483029 0.68 LMNA (0.69) RAB9ANPC1MEN1KMT2AGSTP1
SCHEMBL1096817 0.68 LMNA (0.69) RAB9ANPC1MEN1KMT2AGSTP1
SCHEMBL339813 0.68 LMNA (0.82) RAB9AGSTP1SRD5A2ALOX5MAOB
SCHEMBL27367676 0.68 LMNA (0.82) RAB9AGSTP1SRD5A2ALOX5MAOB
SCHEMBL9490004 0.68 GSTP1 (0.54) RAB9AGSTP1ALOX5MAOBLMNA
SCHEMBL28500192 0.68 MEN1 (0.57) RAB9ANPC1MEN1KMT2ASRD5A2

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
CN-107406424-B Estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2020-08-25 CN disclosed