SCHEMBL19903041

SCHEMBL19903041

CCC(CC)(COC(=O)CCS)COC(=O)CCS

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
DGKA P23743 1/20 0.32
CYP1A2 P05177 1/20 0.32
DNM1 Q05193 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL56622 0.96 THRB (0.37) THRBDGKACYP1A2DNM1ADRA2A
SCHEMBL25867864 0.94 ALDH1A1 (0.40) THRBDGKADNM1ALDH1A1
SCHEMBL18289496 0.90 THRB (0.41) THRB
SCHEMBL7606318 0.90 ALDH1A1 (0.36) THRBALDH1A1
SCHEMBL13398617 0.90 ALDH1A1 (0.40) THRBDGKADNM1ALDH1A1
SCHEMBL16882981 0.90 THRB (0.34) THRBCYP1A2DNM1ALDH1A1
SCHEMBL538021 0.90 ALDH1A1 (0.36) THRBALDH1A1
SCHEMBL13733257 0.90 TSHR (0.35) THRBTSHRHSD17B10
SCHEMBL3193158 0.89 ALDH1A1 (0.35) THRBALDH1A1
SCHEMBL19482459 0.89 DGKA (0.36) THRBDGKACYP1A2DNM1ALDH1A1

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-11708458-B2 Composition for thiol-ene-based polymerization and liquid crystalline network-containing objects formed therefrom using additive manufacturing UT-BATTELLE, LLC (US) 2023-07-25 US disclosed
EP-2848641-B1 METHOD FOR PRODUCING RUBBER MOLDING NICHIAS CORP (JP) 2018-02-28 EP disclosed