SCHEMBL13829082

SCHEMBL13829082

O=C(CC12CC3CC(CC(CO)(C3)C1)C2)OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
SCN9A Q15858 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
SCHEMBL13829241 0.88 ALDH1A1 (0.38) ALDH1A1THRBGAAKMT2AMEN1
SCHEMBL11991284 0.87 LMNA (0.38) ALDH1A1THRBKMT2AMEN1
SCHEMBL18470619 0.81 ALDH1A1 (0.33) ALDH1A1THRBKMT2AMEN1
SCHEMBL24453033 0.80 ALDH1A1 (0.31) ALDH1A1THRB
SCHEMBL18470632 0.80 ALDH1A1 (0.33) ALDH1A1THRBGAA
SCHEMBL20342013 0.77
SCHEMBL22057421 0.77
SCHEMBL19986155 0.75
SCHEMBL18644022 0.75
SCHEMBL16020251 0.73 ALDH1A1 (0.38) ALDH1A1THRB

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-20120288796-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-11-15 US disclosed