SCHEMBL21452893

SCHEMBL21452893

CC1CC(C)(C)N(Cc2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
ELANE P08246 2/20 0.45
AMPD2 Q01433 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 5/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSG P08311 1/20 0.43
PRTN3 P24158 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EHMT2 Q96KQ7 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
SCHEMBL17426062 0.84 ALDH1A1 (0.48) GAAELANEAMPD2LMNAALDH1A1
SCHEMBL30748924 0.83 LMNA (0.46) GAAELANEAMPD2LMNAALDH1A1
SCHEMBL21438830 0.81 GAA (0.43) GAAELANEAMPD2LMNAALDH1A1
SCHEMBL21468773 0.80 GAA (0.42) GAAELANEAMPD2LMNAALDH1A1
SCHEMBL21245089 0.80 AMPD2 (0.48) GAAELANEAMPD2LMNAALDH1A1
SCHEMBL21439191 0.80 LMNA (0.44) GAAELANEAMPD2LMNAALDH1A1
SCHEMBL21468553 0.79 KMT2A (0.45) GAAELANEAMPD2LMNAALDH1A1
SCHEMBL9073520 0.78 AMPD2 (0.49) AMPD2LMNA
SCHEMBL16400522 0.77 GAA (0.42) GAAELANEAMPD2LMNAALDH1A1
SCHEMBL17063254 0.76 AMPD2 (0.44) ELANEAMPD2LMNAALDH1A1TSHR

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
WO-2019195739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR ABELA ALEXANDER RUSSELL (US) 2019-10-10 WO disclosed