SCHEMBL23401889

SCHEMBL23401889

CCCc1cnn(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.33
S1PR2 O95136 1/20 0.32
KDM4E B2RXH2 1/20 0.32
AURKA O14965 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
PRKCI P41743 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN11 Q06124 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
SCHEMBL23403140 0.88 TYR (0.39) BRD9
SCHEMBL19912809 0.83
SCHEMBL23400738 0.80 POLB (0.40) HMGCRL3MBTL1
SCHEMBL23401071 0.78 HTT (0.36) HMGCRAURKAPRKCIPTPN1PTPN11
SCHEMBL23403077 0.77 TOP2A (0.35)
SCHEMBL9965027 0.77 MAPK1 (0.35) S1PR2KDM4EBRD9
SCHEMBL28166169 0.77
SCHEMBL23401895 0.75 HMGCR (0.31) HMGCR
SCHEMBL23400877 0.73 GABRA1 (0.41) KDM4E
SCHEMBL4352669 0.72 AKR1B1 (0.39) KDM4EL3MBTL1

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed