SCHEMBL17860970

SCHEMBL17860970

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL645760 0.88 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10
SCHEMBL17848826 0.85 FFAR3 (0.41) ALDH1A1LMNAHSD17B10
SCHEMBL17882018 0.82 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10
SCHEMBL5837034 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10
SCHEMBL9847820 0.79 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10
SCHEMBL24106170 0.79 CES1 (0.41) ALDH1A1LMNA
SCHEMBL18290180 0.78 STING1 (0.36)
SCHEMBL17860695 0.77 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10
SCHEMBL28406124 0.77 DGKA (0.48) ALDH1A1LMNA
SCHEMBL4935949 0.76 LMNA (0.35) ALDH1A1LMNAHSD17B10

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