SCHEMBL26312810

SCHEMBL26312810

C=C(C)C(=O)Oc1cccc(C(=O)OCCS(=O)(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.47
ELANE P08246 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL12376762 0.87 ELANE (0.42) ELANEKMT2AESR1TDP1
SCHEMBL12376766 0.85 ELANE (0.50) ELANEKMT2ASMN1; SMN2ESR1TDP1
SCHEMBL3015445 0.82 ELANE (0.49) SERPINE1ELANEKMT2AMEN1SMN1; SMN2
SCHEMBL13572293 0.81 TSHR (0.49) SERPINE1KMT2AMEN1ESR1LMNA
SCHEMBL14902646 0.80 ELANE (0.40) SERPINE1ELANEKMT2AMEN1SMN1; SMN2
SCHEMBL26312929 0.80 ESR1 (0.39) ELANEKMT2AMEN1SMN1; SMN2ESR1
SCHEMBL26322506 0.79 SERPINE1 (0.45) SERPINE1KMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL26312823 0.78 POLB (0.49) ELANEKMT2AMEN1SMN1; SMN2ESR1
SCHEMBL26312592 0.77 ELANE (0.53) ELANEKMT2AMEN1SMN1; SMN2ESR1
SCHEMBL25476176 0.76 L3MBTL1 (0.52) ELANENPSR1TDP1TSHRNPC1

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