SCHEMBL11208709

SCHEMBL11208709

CNC(=O)Oc1cccc2c1CC(C)O2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 2/20 0.46
PGR P06401 1/20 0.46
GAA P10253 1/20 0.46
PTGS1 P23219 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.44
ACHE P22303 6/20 0.44
BCHE P06276 3/20 0.44
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MAOA P21397 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
POLL Q9UGP5 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
SCHEMBL6738820 0.78 LMNA (0.56) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL118317 0.78 LMNA (0.56) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL7529452 0.75 LMNA (0.53) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL10748056 0.74 ALDH1A1 (0.58) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL11059794 0.72 ALDH1A1 (0.49) ALDH1A1HSD17B10PGRGAAPTGS1
Dimethylcarbate SCHEMBL28139696 0.72 LMNA (0.50) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL11725965 0.71 ALDH1A1 (0.61) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL13266254 0.70 TDP1 (0.46) ALDH1A1MAPK1HPGDMAOABRD4
SCHEMBL20483902 0.70 DRD2 (0.48) ALDH1A1HPGDMAOABRD4CREBBP
SCHEMBL5543882 0.69 BRD4 (0.45) ALDH1A1KDM4EHPGDMAOABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012452-B1 PHOSPHORIC ACID ESTERS AND THEIR USE IN PESTICIDAL COMPOSITIONS BAYER AG (DE) 1983-02-09 EP disclosed
EP-0000127-B1 INSECTICIDAL AND ACARICIDAL COMPOSITIONS, THEIR MANUFACTURE AND THEIR USE BAYER AG (DE) 1982-10-20 EP disclosed
EP-0030661-A2 Insecticidal and acaricidal agents containing propargyl esters of thiono-phosphoric acids BAYER AG (DE) 1981-06-24 EP disclosed
EP-0012452-A2 Phosphoric acid esters and their use in pesticidal compositions BAYER AG (DE) 1980-06-25 EP disclosed
EP-0000127-A1 Insecticidal and acaricidal compositions, their manufacture and their use BAYER AG (DE) 1979-01-10 EP disclosed