SCHEMBL15097113

SCHEMBL15097113

COSc1c(C)cc(C(C)(C)C)c([N+](=O)[O-])c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GALR3 O60755 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL4923093 0.79 TSHR (0.51) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL15097114 0.78 ALDH1A1 (0.42) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL27322674 0.77 ALDH1A1 (0.63) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL10813783 0.75 TSHR (0.54) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL15097110 0.74 ALOX15 (0.32) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL28308139 0.73 TSHR (0.49) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL27337103 0.73 SMN1; SMN2 (0.51) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL15097116 0.73
SCHEMBL15097115 0.73
SCHEMBL15097111 0.71 CYP1A2 (0.30)

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-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed