SCHEMBL11228441

SCHEMBL11228441

CC[C@@](O)(C(=O)OC)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.60
SRC P12931 1/20 0.50
NR1H2 P55055 3/20 0.47
NR1H3 Q13133 3/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLS O94925 2/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
POLB P06746 2/20 0.43
CHRM4 P08173 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4014494 1.00 KCNN4 (0.60) KCNN4SRCNR1H2NR1H3MEN1
SCHEMBL11329310 0.85 KCNN4 (0.56) KCNN4SRCNR1H2NR1H3MEN1
SCHEMBL4166704 0.85 KCNN4 (0.60) KCNN4SRCNR1H2NR1H3MEN1
SCHEMBL21656187 0.83 KCNN4 (0.58) KCNN4SRCNR1H2NR1H3MEN1
SCHEMBL7959301 0.83 KCNN4 (0.58) KCNN4SRCNR1H2NR1H3MEN1
SCHEMBL4012323 0.83 KCNN4 (0.58) KCNN4SRCNR1H2NR1H3MEN1
SCHEMBL10745657 0.83 PIN1 (0.53) KCNN4MEN1KMT2ACHRM2CHRM1
SCHEMBL4012727 0.81 KCNN4 (0.56) KCNN4SRCMEN1KMT2AOPRM1
SCHEMBL10881439 0.81 KCNN4 (0.56) KCNN4SRCMEN1KMT2AOPRM1
SCHEMBL28295928 0.81 KCNN4 (0.51) KCNN4SRCNR1H2NR1H3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009306-B1 ANTI-ARTHRITIC HYDROXYACETIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-24 EP disclosed
US-4310544-A Hydroxyacetic acid derivatives with anti-arthritic properties IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-01-12 US disclosed
EP-0009306-A1 Anti-arthritic hydroxyacetic acid derivatives, pharmaceutical compositions thereof, and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-02 EP disclosed