SCHEMBL8133010

SCHEMBL8133010

COC(=O)C(=Cc1ccc(F)cc1)C(=O)C1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
IKBKG Q9Y6K9 1/20 0.40
GLO1 Q04760 1/20 0.39
RAB9A P51151 2/20 0.39
NR1H4 Q96RI1 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL8133007 1.00 MEN1 (0.48) MEN1LMNACYP1A2MAPTCYP2C9
SCHEMBL9735963 0.94 MEN1 (0.50) MEN1LMNACYP1A2MAPTCYP2C9
SCHEMBL9735955 0.94 MEN1 (0.50) MEN1LMNACYP1A2MAPTCYP2C9
SCHEMBL9735962 0.94 MEN1 (0.50) MEN1LMNACYP1A2MAPTCYP2C9
SCHEMBL15573909 0.86 MEN1 (0.46) MEN1LMNAMAPTKMT2ANPSR1
SCHEMBL18060097 0.86 MEN1 (0.46) MEN1LMNAMAPTKMT2ANPSR1
SCHEMBL3921874 0.82 MAPT (0.67) MEN1LMNACYP1A2MAPTCYP2C9
SCHEMBL8005684 0.78 RAB9A (0.37) MEN1LMNACYP1A2MAPTCYP2C9
SCHEMBL13939604 0.77 MAPT (0.57) MEN1LMNACYP1A2MAPTCYP2C9
SCHEMBL2572526 0.77 MAPT (0.57) MEN1LMNACYP1A2MAPTCYP2C9

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-6121330-A CARDIOVASCULAR DISORDERS; ANTICHOLESTEROL AGENTS; ANTILIPEMIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed