SCHEMBL25844841

SCHEMBL25844841

CC(I)C(=O)Oc1cccc2c(C(=O)OCCS(=O)(=O)O)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
PTGS2 P35354 2/20 0.35
ALDH1A1 P00352 3/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
TSHR P16473 5/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL25844839 0.93 HPGDS (0.35) PTGS2ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL25845041 0.88 ESR1 (0.36) ESR1ESR2KMT2AMEN1POLB
SCHEMBL25845038 0.81 HPGDS (0.38) KMT2APTGS2ALDH1A1TSHRTDP1
SCHEMBL25844838 0.78 ESR1 (0.32) ESR1ESR2KMT2AMEN1
SCHEMBL25476367 0.76 KMT2A (0.34) ESR1ESR2KMT2AMEN1POLB
SCHEMBL10067100 0.74 HRH3 (0.52) KMT2APOLBGAAALDH1A1ADRB2
SCHEMBL25844837 0.72 GABRA1 (0.32)
SCHEMBL25844834 0.71 GAA (0.32) ESR1ESR2KMT2AMEN1POLB
SCHEMBL25476365 0.70 POLB (0.30) KMT2APOLBGAA
SCHEMBL19756079 0.69 ALOX15 (0.36) KMT2AGAAALDH1A1ADRB2

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-11709426-B2 Resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-07-25 US disclosed