SCHEMBL9620374

SCHEMBL9620374

CC(=O)OC1CC(C)(C)SC(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM2 P08172 5/20 0.34
CHRM1 P11229 3/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
MEN1 O00255 2/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 2/20 0.32
CYP3A4 P08684 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
SCHEMBL9620288 0.84 GAA (0.33) GAA
SCHEMBL28677870 0.79 KMT2A (0.44) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL28011826 0.77 TSHR (0.42) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL9620279 0.76 NAAA (0.46) KMT2AMEN1GAA
SCHEMBL13148260 0.76 TSHR (0.41) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL9620068 0.75 NAAA (0.41) ALDH1A1
SCHEMBL451661 0.74 GAA (0.54) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL7174316 0.74 TSHR (0.41) KMT2ATSHRALDH1A1ESR1HSD17B10
SCHEMBL20617833 0.73 TSHR (0.39) KMT2ATSHRALDH1A1ESR1HSD17B10
Ammonia Solution, Strong SCHEMBL1170766 0.72 GAA (0.53) KMT2ATSHRALDH1A1ESR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149828-A Tetrahydropyran compounds CIBA-GEIGY AG (CH) 1992-09-22 US disclosed
EP-0310552-B1 STABILIZERS FOR COLOUR PHOTOGRAPHIC RECORDING MATERIALS CIBA-GEIGY AG (CH) 1992-05-13 EP disclosed
US-4933271-A Stabilizers for color photography recording materials CIBA-GEIGY AG (CH) 1990-06-12 US disclosed
EP-0310552-A1 Stabilizers for colour photographic recording materials CIBA-GEIGY AG (CH) 1989-04-05 EP disclosed