SCHEMBL17860729

SCHEMBL17860729

CCC(CC)OC(=O)C(CC)CI

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
CTSK P43235 1/20 0.32
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL17860690 0.88 PRKCA (0.41) CA2CA1TSHRCTSKMAPK1
SCHEMBL17860697 0.86 CA2 (0.40) CA2CA1USP2TSHRCTSK
SCHEMBL12790573 0.78 CA2 (0.48) CA2CA1TSHRCTSKMAPK1
SCHEMBL17878558 0.77 BIRC2 (0.37) CA2CA1USP2TSHRCTSK
SCHEMBL1534782 0.74 ALDH1A1 (0.37) CA2CA1USP2TSHRMAPK1
SCHEMBL17882032 0.74 PRKCA (0.45) CA2CA1USP2TSHRCTSK
SCHEMBL304879 0.73 ALDH1A1 (0.36) CTSKALDH1A1
SCHEMBL827371 0.72 CTSK (0.35) CA2CA1TSHRCTSKALDH1A1
SCHEMBL17860707 0.71 ALDH1A1 (0.48) CA2CA1TSHRMAPK1ALDH1A1
SCHEMBL4834711 0.70 TSHR (0.36) TSHRCTSKALDH1A1

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-2016100578-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed