SCHEMBL26977161

SCHEMBL26977161

CC(O)Cc1c(CC(C)O)c(CC(C)O)c(C(N)=O)c(C(N)=O)c1CC(C)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL4808029 0.64 ALDH1A1 (0.31)
SCHEMBL11786175 0.64 ALDH1A1 (0.31)
SCHEMBL15106147 0.64 PKM (0.39) POLBL3MBTL1CA1CA2
SCHEMBL6902769 0.62 CYP1A2 (0.42) CA1CA2
SCHEMBL7542992 0.62 CYP1A2 (0.43) POLB
SCHEMBL2194475 0.61 POLB (0.50) POLBL3MBTL1CA2
Propylene Glycol SCHEMBL8832136 0.61
SCHEMBL14989186 0.60 PTGS1 (0.39)
SCHEMBL11838199 0.59 ALDH1A1 (0.33)
SCHEMBL7406510 0.59 CYP1A2 (0.41) POLB

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-4299656-A1 PREPARATION OF PROPOXYLATED BENZENEDICARBOXYLIC ACID AMIDES AND CORRESPONDING POLYURETHANE FOAM Evonik Operations GmbH (DE) 2024-01-03 EP disclosed