SCHEMBL11065472

SCHEMBL11065472

Cc1ccc(O)c(C(=O)C(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.62
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
DBH P09172 1/20 0.50
RECQL P46063 1/20 0.50
TRPA1 O75762 2/20 0.46
MCL1 Q07820 1/20 0.46
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL17224794 0.85 CSNK2A1 (0.58) CSNK2A1KDM4ETRPA1MCL1RAB9A
SCHEMBL22133754 0.82 CA12 (0.59) KDM4EGAADBHRECQLCA12
SCHEMBL4171188 0.82 MEN1 (0.50) CSNK2A1KDM4EGAADBHRECQL
SCHEMBL11500852 0.79 CSNK2A1 (0.72) CSNK2A1KDM4EGAATRPA1MCL1
SCHEMBL20867559 0.78 CSNK2A1 (0.55) CSNK2A1KDM4EMCL1POLBMEN1
SCHEMBL12780262 0.78 CES2 (0.42) CSNK2A1KDM4EGAADBHRECQL
SCHEMBL1340684 0.78 MAPT (0.51) CSNK2A1KDM4ERECQLMCL1POLB
SCHEMBL24413664 0.78 HSP90AA1 (0.58) KDM4EGAADBHRECQLTRPA1
SCHEMBL3084781 0.78 HPGD (0.62) KDM4EGAADBHRECQLPOLB
SCHEMBL24450926 0.78 KDM4E (0.48) KDM4EGAADBHRECQLLMNA

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-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 US disclosed