SCHEMBL11110135

SCHEMBL11110135

CC(=O)c1cc(-c2ccc(C)cc2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.73
ACMSD Q8TDX5 3/20 0.52
DHFR P00374 1/20 0.52
HNF4A P41235 1/20 0.52
CSNK2A1 P68400 1/20 0.50
HSD11B1 P28845 1/20 0.50
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
GSTA1 P08263 1/20 0.47
EGLN1 Q9GZT9 1/20 0.46
HSD17B1 P14061 2/20 0.46
CHUK O15111 1/20 0.46
LCK P06239 1/20 0.44
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2070297 0.85 MCL1 (0.72) MCL1ACMSDDHFRHNF4AHSD11B1
SCHEMBL18231987 0.85 MCL1 (0.73) MCL1ACMSDDHFRHNF4ACSNK2A1
SCHEMBL4967083 0.85 MCL1 (1.00) MCL1ACMSDDHFRHNF4ACSNK2A1
SCHEMBL8265893 0.84 ACMSD (0.53) MCL1ACMSDDHFRHNF4ACSNK2A1
SCHEMBL29495347 0.84 CSNK2A1 (0.69) MCL1CSNK2A1LMNATP53HTT
SCHEMBL471440 0.84 CSNK2A1 (0.69) MCL1CSNK2A1LMNATP53HTT
SCHEMBL17233413 0.83 ALOX5 (0.57) MCL1ACMSDDHFRHNF4AESR1
SCHEMBL6559319 0.83 MAOA (0.55) MCL1ACMSDDHFRHNF4AESR1
Dimethylamine SCHEMBL1647032 0.82 CSNK2A1 (0.62) MCL1CSNK2A1NPC1LMNATP53
SCHEMBL18231986 0.82 MCL1 (0.73) MCL1ACMSDDHFRHNF4ACSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4479007-A Chroman-4-ones and process for preparing same BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
US-4415741-A REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE BAYER AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4307020-A REACTING AN 0-HYDROXYACETOPHENONE WITH A GLYOXYLIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1981-12-22 US disclosed
US-4285965-A FUNGICIDES AND INSECTICIDES FOR PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-25 US disclosed
EP-0000377-B1 PROCESS FOR THE PREPARATION OF CHROMONE DERIVATIVES, NEW CHROMONE DERIVATIVES AND THEIR USE AS PLANT-PROTECTING AGENTS BAYER AG (DE) 1981-01-21 EP disclosed
US-4189498-A FUNGICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed