SCHEMBL25936844

SCHEMBL25936844

C=C(C)C(=O)OC(c1ccc(-c2ccc(OC(=O)C(C)C)cc2)cc1)C(C)(C)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.41
▸ HSD17B10 Q99714 1/20 0.35
▸ ACACB O00763 4/20 0.33
▸ ACACA Q13085 3/20 0.33
▸ ATM Q13315 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ BCL2 P10415 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CA2 P00918 1/20 0.31

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
SCHEMBL18806020 0.90 ELANE (0.43) ELANEHSD17B10ACACBACACAATM
SCHEMBL23543282 0.86 ELANE (0.50) ELANEHSD17B10ATMKMT2ACA2
SCHEMBL21231953 0.85 MAPT (0.42) ACACBKMT2AL3MBTL1
SCHEMBL25936846 0.83 ELANE (0.36) ELANEHSD17B10LMNAGAA
SCHEMBL25936863 0.83 FFAR1 (0.34) —
SCHEMBL25581508 0.83 FGFR1 (0.38) —
SCHEMBL18806039 0.83 ELANE (0.41) ELANEACACBACACAATMKMT2A
SCHEMBL26000466 0.81 ACACB (0.31) ELANEACACBACACAPTGS2
SCHEMBL23255224 0.81 ELANE (0.43) ELANEHSD17B10ACACBACACAATM
SCHEMBL18806032 0.80 ELANE (0.34) ELANEACACBACACAATMKMT2A

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-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 — — EP disclosed
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