SCHEMBL9565022

SCHEMBL9565022

O=C(CCCCCCCS)OCCS

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.54
DNM1 Q05193 1/20 0.48
FOLH1 Q04609 1/20 0.46
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PAM P19021 2/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36

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
SCHEMBL11358573 1.00 DGKA (0.54) DGKADNM1FOLH1FNTAFNTB
SCHEMBL3521392 0.98 DGKA (0.50) DGKADNM1FOLH1FNTAFNTB
SCHEMBL11164524 0.95 DGKA (0.58) DGKADNM1FOLH1FNTAFNTB
SCHEMBL11165289 0.95 DGKA (0.58) DGKADNM1FOLH1FNTAFNTB
SCHEMBL11170949 0.95 DGKA (0.58) DGKADNM1FOLH1FNTAFNTB
SCHEMBL206960 0.93 DGKA (0.54) DGKADNM1FOLH1FNTAFNTB
SCHEMBL5342062 0.91 DGKA (0.54) DGKADNM1FOLH1PAMPRSS1
SCHEMBL11356292 0.91 DGKA (0.54) DGKADNM1FOLH1PAMPRSS1
SCHEMBL14336959 0.91 DGKA (0.54) DGKADNM1FOLH1PAMPRSS1
SCHEMBL3521469 0.91 DGKA (0.54) DGKADNM1FOLH1PAMPRSS1

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
EP-0565891-A1 Copolymer latex, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP disclosed