SCHEMBL9990036

SCHEMBL9990036

CC(C)Cc1ccc(-c2cccc3c(C=O)cccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
S1PR1 P21453 1/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
LMNA P02545 1/20 0.35
ALB P02768 1/20 0.35
ESR1 P03372 1/20 0.35
ALOX5 P09917 1/20 0.35
RARB P10826 1/20 0.35
CYP2C9 P11712 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
SCHEMBL13062964 0.86 XDH (0.44) DHODHMEN1POLBMAPTKMT2A
SCHEMBL9989324 0.76 GABRA1 (0.43) DHODHMEN1POLBMAPTKMT2A
SCHEMBL9990065 0.74 PTGS2 (0.40) DHODHMEN1POLBMAPTKMT2A
SCHEMBL12074876 0.74 PTGS2 (0.38) MEN1MAPTKMT2APTGS2LMNA
SCHEMBL7804618 0.73 S1PR1 (0.40) DHODHMEN1POLBMAPTKMT2A
SCHEMBL12074872 0.73 GPR84 (0.38) MEN1MAPTKMT2APPARGPPARA
SCHEMBL9150076 0.73 MEN1 (0.43) MEN1POLBKMT2ABCHEACHE
SCHEMBL9989326 0.72 TNF (0.42) DHODHMEN1POLBMAPTKMT2A
SCHEMBL9989089 0.70 ENPP1 (0.42) CYP2C9
SCHEMBL4245330 0.70 MEN1 (0.61) MEN1KMT2ALMNA

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
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 WO disclosed