SCHEMBL7056602

SCHEMBL7056602

CC1(C)CC(=O)C(Cl)CO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 5/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 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
SCHEMBL12489209 0.74 ALDH1A1 (0.38) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL19784252 0.70
SCHEMBL2830540 0.67 ALDH1A1 (0.37) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL18898921 0.66 ALDH1A1 (0.34) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL14251019 0.66 ALDH1A1 (0.36) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL1700018 0.66 ALDH1A1 (0.36) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL432006 0.64 MAPT (0.54) ALDH1A1LMNAHTTTSHRMAPT
SCHEMBL11123442 0.59
SCHEMBL1830788 0.59
SCHEMBL11617099 0.58 MAPT (0.46) ALDH1A1LMNAHTTTSHRMAPT

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-2003034997-A2 MODULATORS OF PHOSPHOINOSITIDE 3-KINASE ICONIX PHARMACEUTICALS, INC. (US) 2003-05-01 WO disclosed