SCHEMBL7122832

SCHEMBL7122832

COC(=O)c1c(O)cc2c(c1-c1ccc(F)cc1)C(=O)CC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
OPRM1 P35372 2/20 0.38
LMNA P02545 4/20 0.38
GCGR P47871 1/20 0.37
WRN Q14191 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7123071 0.83 ALPL (0.36) ALPLALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6376468 0.83 GCGR (0.38) ALPLALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6422907 0.82 ALPL (0.39) ALPLALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7127715 0.80 ALPL (0.34) ALPLALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6484099 0.72 CYP1A2 (0.48) ALPLALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6422071 0.71 ALPL (0.35) ALPLALDH1A1MAPTOPRM1WRN
SCHEMBL6423040 0.69 ALPL (0.34) ALPLMEN1KMT2AMAPTOPRM1
SCHEMBL6421909 0.69 MAPT (0.33) ALPLMAPTWRNBUB1
SCHEMBL7119488 0.68 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL25332785 0.66 SLC6A3 (0.50) ALDH1A1MEN1KMT2AMAPTLMNA

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-6586613-B1 Compounds such as 5-(tert-butyldimethylsiloxy)-7,7-dimethyl -4(4-fluorophenyl)-3-(hydroxy-(4-trifluorophenyl)-methyl)-2-isopropyl -5,6,7,8-tetrahydronaphthalene, used as antagonists for cholesteryl ester transferase protein; hyperlipemia BAYER AKTIENGELLSCHAFT (DE) 2003-07-01 US disclosed