SCHEMBL29290905

SCHEMBL29290905

CCC[C@H]1CC[C@H](c2cccc(O)c2-c2ccccc2O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CES2 O00748 1/20 0.36
AKT1 P31749 2/20 0.35
ELANE P08246 2/20 0.35
CTSG P08311 2/20 0.35
MAOA P21397 2/20 0.34
FYN P06241 1/20 0.34
OPRL1 P41146 2/20 0.34
HSD11B1 P28845 1/20 0.33
BCHE P06276 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL1680067 0.84 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL1119886 0.84 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL8453060 0.82 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL2888653 0.81 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL28224154 0.81 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL9639405 0.80 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL4650755 0.80 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL7215220 0.80 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL2887395 0.76 PTPN5 (0.40) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL11161269 0.75 OPRL1 (0.40) CYP2C9ALDH1A1LMNAMAPTMAPK1

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-109154734-B Low haze switchable liquid crystal arrangement for switchable windows or the like 佳殿玻璃有限公司 2021-11-19 CN disclosed