SCHEMBL20912422

SCHEMBL20912422

O=C(O)CCCOCc1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
LTA4H P09960 2/20 0.45
TSHR P16473 2/20 0.39
HDAC3 O15379 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1A P35348 1/20 0.37
HDAC4 P56524 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL20912423 0.95 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1LTA4HPLA2G4B
SCHEMBL20912421 0.90 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1LTA4HFOLH1
SCHEMBL20912447 0.86 LTA4H (0.44) SLC1A3SLC1A2SLC1A1LTA4HTSHR
SCHEMBL8687331 0.80 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1LTA4HHDAC8
SCHEMBL6042877 0.80 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1LTA4H
SCHEMBL8905224 0.80 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1LTA4HSLC6A3
SCHEMBL8906379 0.78 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1LTA4HSLC6A3
SCHEMBL600268 0.78 SMN1; SMN2 (0.57) SLC1A3SLC1A2SLC1A1LTA4HTSHR
SCHEMBL291194 0.78 SMN1; SMN2 (0.57) TSHRHDAC3MAPK1ADRA1AHDAC4
SCHEMBL8603227 0.76 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1LTA4HHDAC8

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-11269251-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-03-08 US disclosed
US-20190113844-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-04-18 US disclosed