SCHEMBL625965

SCHEMBL625965

O=C1CCSCCC(=O)OCC2CCC(CC2)CO1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CA1 P00915 1/20 0.30
CA9 Q16790 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
SCHEMBL6343324 0.84 TSHR (0.45) CYP2D6ALDH1A1LMNATP53TSHR
SCHEMBL3032192 0.84 TSHR (0.45) CYP2D6ALDH1A1LMNATP53TSHR
SCHEMBL6337539 0.84 TSHR (0.45) CYP2D6ALDH1A1LMNATP53TSHR
SCHEMBL8850849 0.79 CA1 (0.50) CYP2D6ALDH1A1LMNATP53TSHR
SCHEMBL4788659 0.79 CYP2D6 (0.50) CYP2D6ALDH1A1LMNATP53TSHR
SCHEMBL10783951 0.77 CYP2D6 (0.48) CYP2D6ALDH1A1LMNATP53TSHR
SCHEMBL5330024 0.77 CYP2D6 (0.48) CYP2D6ALDH1A1LMNATP53TSHR
SCHEMBL4787647 0.77 CYP2D6 (0.48) CYP2D6ALDH1A1LMNATP53TSHR
SCHEMBL4788382 0.77 CYP2D6 (0.48) CYP2D6ALDH1A1LMNATP53TSHR
SCHEMBL11249055 0.74 TSHR (0.53) ALDH1A1LMNATP53TSHRCA1

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-2012020070-A2 ENHANCEMENT OF THE SKIN DEPIGMENTATION KASRAEE BEHROOZ (CH) 2012-02-16 WO disclosed