SCHEMBL21155488

SCHEMBL21155488

CCC(C)(C)C(=O)OCCCNC(=O)S

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.39
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
EPHX1 P07099 1/20 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
SCHEMBL14521352 0.85 KDM4E (0.45) ACHE
SCHEMBL11963848 0.84 ACHE (0.44) ACHECA12CA1CA2CA9
SCHEMBL19822027 0.82 EPHX1 (0.38) ACHEEPHX1
SCHEMBL19822040 0.81 KDM4E (0.40) ACHECYP4F2CYP4A11EPHX1
SCHEMBL21861866 0.81 CASP2 (0.50) ACHE
SCHEMBL26414872 0.81 EPHX1 (0.37) ACHEEPHX1
SCHEMBL11963812 0.81 ACHE (0.37) ACHECA12CA1CA2CA9
SCHEMBL13667082 0.80 CYP4F2 (0.42) ACHECYP4F2CYP4A11EPHX1
SCHEMBL10089267 0.80 ACHE (0.38) ACHE
SCHEMBL11963883 0.80 CA12 (0.47) ACHECA12CA1CA2CA9

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-10920034-B2 Resin composition and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-02-16 US disclosed
US-20190211178-A1 RESIN COMPOSITION AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-11 US disclosed