SCHEMBL6895591

SCHEMBL6895591

CC(=O)ON1C(C)(C)CC(CC(N)=O)CC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.33
GAA P10253 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
SCHEMBL12548972 0.86 TSHR (0.46) TSHRALDH1A1ESR1HSD17B10KMT2A
SCHEMBL5186761 0.77 TSHR (0.32) TSHR
SCHEMBL22472188 0.77 CA1 (0.33)
SCHEMBL442346 0.77 GAA (0.38) ALDH1A1KMT2AGAA
SCHEMBL13110304 0.74 TSHR (0.50) TSHRALDH1A1ESR1HSD17B10KMT2A
SCHEMBL7514929 0.74 TSHR (0.50) TSHRALDH1A1ESR1HSD17B10KMT2A
SCHEMBL16341866 0.72 TSHR (0.48) TSHRALDH1A1ESR1HSD17B10KMT2A
SCHEMBL4325339 0.72 TSHR (0.55) TSHRALDH1A1ESR1HSD17B10KMT2A
SCHEMBL987544 0.72 TSHR (0.55) TSHRALDH1A1ESR1HSD17B10KMT2A
SCHEMBL1138567 0.72 KMT2A (0.63) TSHRALDH1A1ESR1HSD17B10KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713492-B1 OXYGEN OR FREE RADICAL DETECTION AND SCAVENGING DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2004-03-30 US disclosed
EP-1132085-A1 DRUGS AND REAGENTS CONTAINING N-ACYLOXYLATED CYCLOALKYL COMPOUNDS AS THE ACTIVE INGREDIENT DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2001-09-12 EP disclosed