SCHEMBL25527388

SCHEMBL25527388

O=C(CS)OCCOc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.41
MAPT P10636 6/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.40
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL25527354 0.83 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL13440151 0.80 CYP19A1 (0.52) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL10229400 0.80 TDP1 (0.55) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL13440156 0.80 CYP19A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL25527374 0.79 ALDH1A1 (0.43) ALDH1A1TP53KMT2A
SCHEMBL25527375 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL25527377 0.79 TSHR (0.44) ALDH1A1TDP1TSHRMAPTHTT
SCHEMBL10232058 0.77 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL97838 0.77 MAPT (0.55) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL1542656 0.77 CHRNB2 (0.54) ALDH1A1TDP1CYP3A4ALOX15TSHR

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-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed