SCHEMBL19968189

SCHEMBL19968189

C=C(C)C(=O)OCCNC(=O)NCCCC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.44
TSHR P16473 4/20 0.42
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 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
SCHEMBL19963663 0.91 THRB (0.42) EPHX2TSHRLMNATHRBALDH1A1
SCHEMBL14582190 0.87 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL19952791 0.86 PRMT1 (0.49) EPHX2TSHRTHRB
SCHEMBL13589405 0.85 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL13589406 0.85 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL12511119 0.85 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL13589407 0.85 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL2195083 0.85 THRB (0.52) EPHX2TSHRTHRBALDH1A1
SCHEMBL12169107 0.84 TSHR (0.46) EPHX2TSHRTHRBALDH1A1SMN1; SMN2
SCHEMBL19963575 0.84 THRB (0.42) EPHX2TSHRTHRBALDH1A1CA12

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
WO-2023248020-A1 BLOCK COPOLYMERS GRAFTED TO POROUS POLYMERIC SUBSTRATE 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-12-28 WO disclosed
WO-2018048696-A1 FUNCTIONALIZED COPOLYMERS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-15 WO disclosed