SCHEMBL25825873

SCHEMBL25825873

C=CC(=O)OCCNC(=O)Oc1ccc(C(=O)c2ccc(OC(=O)NCCOCC(=C)C=O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.35
THRB P10828 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ELANE P08246 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL25825991 0.84 THRB (0.48) THRBSMN1; SMN2ALDH1A1ELANETAAR1
SCHEMBL10327018 0.81 THRB (0.42) MGLLTHRBSMN1; SMN2TSHRALDH1A1
SCHEMBL16875732 0.80 TSHR (0.46) MGLLTHRBSMN1; SMN2TSHRALDH1A1
SCHEMBL19872900 0.78 TSHR (0.47) THRBSMN1; SMN2TSHRALDH1A1TP53
SCHEMBL12038757 0.77 THRB (0.43) MGLLTHRBSMN1; SMN2TSHRALDH1A1
SCHEMBL17350730 0.76 THRB (0.42) MGLLTHRBSMN1; SMN2TSHRALDH1A1
SCHEMBL22652910 0.76 NPC1 (0.43) MGLLTHRBSMN1; SMN2TSHRALDH1A1
SCHEMBL17350696 0.76 MGLL (0.53) MGLLTHRBSMN1; SMN2TSHRALDH1A1
SCHEMBL16981272 0.76 THRB (0.59) THRBSMN1; SMN2HSD17B10TAAR1NPC1
SCHEMBL10326984 0.75 THRB (0.41) MGLLTHRBSMN1; SMN2TSHRALDH1A1

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-2023123747-A1 HYDROGEN ABSTRACTION PHOTOINITIATOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 广州鹿山光电材料有限公司 2023-07-06 WO disclosed