SCHEMBL9735963

SCHEMBL9735963

COC(=O)C(=Cc1ccc(F)cc1)C(=O)C1CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
IKBKG Q9Y6K9 1/20 0.42
GLO1 Q04760 1/20 0.40
TRPA1 O75762 1/20 0.38

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
SCHEMBL9735962 1.00 MEN1 (0.50) MEN1MAPTKMT2ALMNACYP1A2
SCHEMBL9735955 1.00 MEN1 (0.50) MEN1MAPTKMT2ALMNACYP1A2
SCHEMBL8133010 0.94 MEN1 (0.48) MEN1MAPTKMT2ALMNACYP1A2
SCHEMBL8133007 0.94 MEN1 (0.48) MEN1MAPTKMT2ALMNACYP1A2
SCHEMBL3921874 0.84 MAPT (0.67) MEN1MAPTKMT2ALMNACYP1A2
SCHEMBL8876005 0.81 MEN1 (0.44) MEN1MAPTKMT2ALMNACYP1A2
SCHEMBL8876007 0.81 MEN1 (0.44) MEN1MAPTKMT2ALMNACYP1A2
SCHEMBL13939604 0.80 MAPT (0.57) MEN1MAPTKMT2ALMNACYP1A2
SCHEMBL2572526 0.80 MAPT (0.57) MEN1MAPTKMT2ALMNACYP1A2
SCHEMBL15573909 0.79 MEN1 (0.46) MEN1MAPTKMT2ALMNANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145959-A Enzyme inhibitors; antilipemic agents; treatment of atherosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed
US-5075311-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1991-12-24 US disclosed