SCHEMBL26312929

SCHEMBL26312929

C=C(C)C(=O)Oc1cc(C(=O)OCCS(=O)(=O)O)ccc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.39
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ELANE P08246 1/20 0.34
TSHR P16473 2/20 0.33
HSD17B2 P37059 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
STS P08842 2/20 0.32
KMT2A Q03164 2/20 0.32
MGLL Q99685 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL19756097 0.89 ESR1 (0.41) ESR1POLBKDM4EHDAC6TSHR
SCHEMBL19756095 0.84 KDM4E (0.50) ESR1POLBKDM4EHDAC6TSHR
SCHEMBL12376766 0.81 ELANE (0.50) ESR1POLBELANETSHRAPEX1
SCHEMBL12376762 0.81 ELANE (0.42) ESR1POLBKDM4EELANEAPEX1
SCHEMBL26312930 0.81
SCHEMBL26312810 0.80 SERPINE1 (0.47) ESR1ELANETSHRTDP1NPC1
SCHEMBL19756043 0.78 ESR1 (0.45) ESR1POLBKDM4EHDAC6TSHR
SCHEMBL19756087 0.77 ALDH1A1 (0.39) ESR1POLBELANEHTTTDP1
SCHEMBL26273639 0.77 ESR1 (0.34) ESR1POLBKDM4EHDAC6ELANE
SCHEMBL19756062 0.77 ESR1 (0.49) ESR1POLBKDM4EHDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230296981-A1 RESIST MATERIAL AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-21 US disclosed
US-20230296980-A1 RESIST MATERIAL AND PATTERN FORMING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-21 US disclosed