SCHEMBL14032017

SCHEMBL14032017

CCC(C)C(=O)OC1CSSCC1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.48
HMGCR P04035 6/20 0.33
CYP3A4 P08684 4/20 0.33
LMNA P02545 3/20 0.33
HIF1A Q16665 3/20 0.33
SLCO1B1 Q9Y6L6 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ABCB11 O95342 2/20 0.33
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
PGR P06401 2/20 0.33
ABCB1 P08183 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
MAPT P10636 2/20 0.33
ADRB3 P13945 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
ITGAL P20701 2/20 0.33
TACR2 P21452 2/20 0.33
TBXA2R P21731 2/20 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
SCHEMBL22291689 1.00 STING1 (0.48) STING1HMGCRCYP3A4LMNAHIF1A
SCHEMBL21347702 0.85 STING1 (0.41) STING1
SCHEMBL21452655 0.82 STING1 (0.43) STING1
SCHEMBL21884176 0.82 STING1 (0.43) STING1
SCHEMBL20026408 0.82 STING1 (0.43) STING1
SCHEMBL20026409 0.82 STING1 (0.43) STING1TBXA2R
SCHEMBL28419916 0.80 HMGCR (0.39) HMGCRCYP3A4LMNAHIF1ASLCO1B1
SCHEMBL21554062 0.80 CHRM1 (0.38) STING1CYP3A4TSHRSLC6A3HDAC1
SCHEMBL12629169 0.78 HMGCR (0.36) HMGCRCYP3A4LMNAHIF1ASLCO1B1
SCHEMBL15373715 0.75 GSR (0.37) HMGCRCYP3A4LMNAHIF1AABCB11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4011396-A1 RELEASABLE CONJUGATES QuiaPEG Pharmaceuticals AB (SE) 2022-06-15 EP disclosed
WO-2020053815-A1 RELEASABLE GLP-1 CONJUGATES QUIAPEG PHARMACEUTICALS AB (SE) 2020-03-19 WO disclosed
WO-2019171358-A1 RELEASABLE ANTIBODY CONJUGATES QUIAPEG PHARMACEUTICALS AB (SE) 2019-09-12 WO disclosed
US-7442758-B2 Polymer that has in its side chain a structure capable of intramolecularly forming a disulfide bond; low temperature operation, large capacities; for example 5-hydroxy-1,2-dithian-4-yl acrylate; cathode material SENSA CORPORATION (JP) 2008-10-28 US disclosed