SCHEMBL11111809

SCHEMBL11111809

CC(CCCC(C)(C)c1ccc(O)cc1O)CCC(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.41
BLM P54132 1/20 0.40
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
KMT2A Q03164 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
NR1I2 O75469 2/20 0.34
ALOX5 P09917 1/20 0.34
TYR P14679 3/20 0.33
EGFR P00533 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
HSP90AB1 P08238 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL11140177 0.89 TYR (0.36) MEN1POLBAPEX1KMT2ACTDSP1
SCHEMBL11116137 0.87 ALDH1A1 (0.39) MEN1POLBAPEX1KMT2ACTDSP1
SCHEMBL11118277 0.87 CA2 (0.37) ACE2MEN1POLBAPEX1KMT2A
SCHEMBL11114736 0.86 TYR (0.37) MEN1POLBAPEX1KMT2ACTDSP1
SCHEMBL11111788 0.85 ACE2 (0.44) ACE2MEN1KMT2AALOX5TYR
SCHEMBL10727308 0.83 TYR (0.36) MEN1POLBAPEX1KMT2ACTDSP1
SCHEMBL11112231 0.82 MEN1 (0.33) MEN1POLBAPEX1KMT2ACTDSP1
SCHEMBL10732226 0.81 EGFR (0.41) MEN1POLBAPEX1KMT2ACTDSP1
SCHEMBL10732542 0.81 TYR (0.36) MEN1POLBAPEX1KMT2ACTDSP1
SCHEMBL3700326 0.80 TYR (0.40) MEN1POLBAPEX1KMT2ACTDSP1

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
EP-0069066-B1 RESORCINOLS AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1984-10-03 EP disclosed