SCHEMBL17860728

SCHEMBL17860728

CCC(C)(C)OC(=O)CCI

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL142215 0.86 TSHR (0.39) ALDH1A1TSHRTDP1
SCHEMBL8011953 0.84 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL17860695 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1998916 0.82 ALDH1A1 (0.50) ALDH1A1TSHRTDP1
SCHEMBL12083658 0.80 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL10606 0.79 HDAC6 (0.37) ALDH1A1TSHRTDP1
SCHEMBL5524337 0.79 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL13785296 0.78 EGLN1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL5069214 0.78 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL18513409 0.78 TSHR (0.39) ALDH1A1TSHRTDP1

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