SCHEMBL11114583

SCHEMBL11114583

CCCCC(CC)OC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CA2 P00918 7/20 0.44
CA1 P00915 4/20 0.44
CTSK P43235 3/20 0.42
SOAT1 P35610 1/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8130517 0.94 ALDH1A1 (0.43) PRKCAPRKCDALDH1A1CA2CA1
SCHEMBL6893118 0.92 ALDH1A1 (0.48) PRKCAPRKCDALDH1A1CA2CA1
SCHEMBL5505348 0.88 ALDH1A1 (0.48) PRKCAPRKCDALDH1A1CA2CA1
SCHEMBL608474 0.88 PRKCA (0.51) PRKCAPRKCDALDH1A1CA2CA1
SCHEMBL18050500 0.84 ALDH1A1 (0.40) PRKCAPRKCDALDH1A1CA2CA1
SCHEMBL1440094 0.83 ALDH1A1 (0.57) ALDH1A1CTSKSOAT1LMNA
SCHEMBL120461 0.82 PRKCA (0.46) PRKCAPRKCDCA2CA1CTSK
SCHEMBL10434910 0.81 ZDHHC7 (0.43) PRKCAPRKCDALDH1A1CA2CTSK
SCHEMBL6892625 0.81 CA2 (0.44) PRKCAPRKCDALDH1A1CA2CA1
SCHEMBL28498391 0.80 NAAA (0.47) PRKCAPRKCDALDH1A1TSHRLMNA

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-0113880-A2 Derivatives from 2-azabicyclo(2.2.1)heptane, process for their preparation, agents containing them and their use, and 2-azabicyclo(2.2.1)heptane derivatives as intermediates, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-25 EP disclosed