SCHEMBL21172247

SCHEMBL21172247

CCC(C)CCOc1ccc(C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.73
RARB P10826 5/20 0.60
TSHR P16473 2/20 0.59
TP53 P04637 1/20 0.59
PLA2G4B P0C869 7/20 0.58
PKM P14618 1/20 0.57
HTT P42858 1/20 0.55
MAPT P10636 1/20 0.54
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PLA2G4A P47712 1/20 0.52

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
SCHEMBL8436025 0.92 MAPK1 (0.67) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL8074101 0.92 MAPK1 (0.67) MAPK1RARBTSHRTP53PLA2G4B
Hydrochloric Acid SCHEMBL9812242 0.91 MAPK1 (0.65) MAPK1RARBTSHRTP53PLA2G4B
Hydrochloric Acid SCHEMBL9812237 0.91 MAPK1 (0.65) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL9711933 0.89 TP53 (0.68) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL9515560 0.89 TP53 (0.68) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL8081094 0.87 MAPK1 (0.73) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL8080211 0.87 MAPK1 (0.73) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL8432107 0.87 MAPK1 (0.73) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL10780882 0.85 MAPK1 (0.71) MAPK1RARBTSHRTP53PLA2G4B

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-2525834-B1 GROWTH HORMONES WITH PROLONGED IN-VIVO EFFICACY NOVO NORDISK HEALTHCARE AG (CH) 2019-07-17 EP disclosed