SCHEMBL14099602

SCHEMBL14099602

CC1(I)[C@H]2CCC(=O)[C@@H]1C2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
TLR4 O00206 1/20 0.30

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
SCHEMBL685482 0.78 TSHR (0.38) MAPTTLR4
SCHEMBL2388827 0.78 TSHR (0.38) MAPTTLR4
SCHEMBL10008216 0.78 TSHR (0.38) MAPTTLR4
SCHEMBL720591 0.78 TSHR (0.38) MAPTTLR4
SCHEMBL16077505 0.65 CES2 (0.42) ALDH1A1
SCHEMBL5270933 0.61 ESR2 (0.41) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL10077330 0.59
SCHEMBL1719695 0.58 TSHR (0.43)
Beta-Pinene SCHEMBL900792 0.57 TSHR (0.38)
Beta-Pinene SCHEMBL1636093 0.57 TSHR (0.38)

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-1193243-B1 NOVEL PROCESS FOR PRODUCING BICYCLIC AMINO ALCOHOL SHIONOGI & CO (JP) 2008-08-13 EP disclosed