SCHEMBL9741985

SCHEMBL9741985

CCCN(OC(C)=O)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 8/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.31
CA1 P00915 2/20 0.31
FDPS P14324 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
SCHEMBL21123 0.86 ALDH1A1 (0.37) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL9618988 0.85 ALDH1A1 (0.44) TSHRMAPK1ALDH1A1LMNAHSD17B10
SCHEMBL246085 0.83 ALDH1A1 (0.35) TSHRALDH1A1LMNAHSD17B10
Potassium SCHEMBL3422897 0.83 ALDH1A1 (0.35) TSHRALDH1A1LMNAHSD17B10
Calcium SCHEMBL4817089 0.83 ALDH1A1 (0.35) TSHRALDH1A1LMNAHSD17B10
SCHEMBL3063255 0.83 ALDH1A1 (0.35) TSHRALDH1A1LMNAHSD17B10
Water SCHEMBL3409395 0.83 ALDH1A1 (0.35) TSHRALDH1A1LMNAHSD17B10
SCHEMBL20564124 0.83 ALDH1A1 (0.35) TSHRALDH1A1LMNAHSD17B10
SCHEMBL20565064 0.83 ALDH1A1 (0.35) TSHRALDH1A1LMNAHSD17B10
SCHEMBL41996 0.83 ALDH1A1 (0.35) TSHRALDH1A1LMNAHSD17B10

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
US-5132323-A Treatment of animals BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-07-21 US disclosed