SCHEMBL25844839

SCHEMBL25844839

CC(I)C(=O)Oc1ccc(C(=O)OCCS(=O)(=O)O)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 4/20 0.34
CNR1 P21554 4/20 0.34
CNR2 P34972 4/20 0.34
MAOB P27338 1/20 0.34
PLK1 P53350 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 2/20 0.33
PTGS2 P35354 1/20 0.33
CDC25B P30305 1/20 0.33
CYP1A2 P05177 1/20 0.33
STAT6 P42226 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 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
SCHEMBL25844841 0.93 ESR1 (0.36) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL25845038 0.88 HPGDS (0.38) HPGDSALDH1A1TSHRCNR1CNR2
SCHEMBL25845041 0.81 ESR1 (0.36) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL25844837 0.78 GABRA1 (0.32) HPGDSPLK1
SCHEMBL22279484 0.77 CDC25B (0.49) HPGDSALDH1A1TSHRPLK1TDP1
SCHEMBL25476365 0.76 POLB (0.30)
SCHEMBL25844838 0.72 ESR1 (0.32)
SCHEMBL10067100 0.72 HRH3 (0.52) ALDH1A1L3MBTL1CDC25BADRB2ADRB1
SCHEMBL19756079 0.71 ALOX15 (0.36) ALDH1A1CNR1CNR2CYP1A2ADRB2
SCHEMBL25844800 0.71 SLC2A1 (0.33) ALDH1A1TSHRL3MBTL1

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