SCHEMBL23987264

SCHEMBL23987264

C=C/C=C1/C(=O)N(O[SH](=O)=O)C(=O)c2cccc(C)c21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TYMS P04818 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
POLB P06746 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
ADORA2A P29274 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
SCHEMBL22252618 0.87 ALDH1A1 (0.34) ALDH1A1
SCHEMBL19861187 0.71 VDR (0.35) ALDH1A1MEN1KMT2A
SCHEMBL14390098 0.68 GAA (0.48) ALDH1A1MEN1KMT2APOLB
SCHEMBL20878402 0.68 DAO (0.40) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL19014848 0.67 KDM4E (0.50) ALDH1A1TYMSMEN1KMT2APOLB
SCHEMBL22482254 0.67 ALDH1A1 (0.30) ALDH1A1
SCHEMBL19862539 0.66 KMT2A (0.33) ALDH1A1MEN1KMT2A
SCHEMBL14532373 0.66 DPP4 (0.40) DPP4KMT2A
SCHEMBL13495393 0.65 DPP4 (0.47) DPP4ALDH1A1TYMSMEN1KMT2A
SCHEMBL14392848 0.65 ERCC1 (0.53) ALDH1A1MEN1KMT2A

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
WO-2021219509-A1 DNQ-FREE CHEMICALLY AMPLIFIED RESIST COMPOSITION MERCK PATENT GMBH (DE) 2021-11-04 WO disclosed