SCHEMBL23398693

SCHEMBL23398693

CCCc1c(-c2ccc(C)cc2)c(O)nn1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.37
DPP4 P27487 11/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK14 Q16539 1/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP7 Q93009 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
SCHEMBL23399491 0.92 GCGR (0.41) GCGRDPP4SMN1; SMN2
SCHEMBL23401942 0.89 GRIA2 (0.37) GCGRDPP4MEN1KMT2AALDH1A1
SCHEMBL23401533 0.88 DPP4 (0.38) GCGRDPP4ALDH1A1SMN1; SMN2
SCHEMBL23402592 0.86 DPP4 (0.36) GCGRDPP4MEN1KMT2AALDH1A1
SCHEMBL23400070 0.86 DPP4 (0.37) GCGRDPP4MEN1KMT2AALDH1A1
SCHEMBL23403122 0.85 ESR1 (0.36) GCGRDPP4MEN1KMT2AALDH1A1
SCHEMBL23400170 0.82 GCGR (0.38) GCGRDPP4MEN1KMT2AALDH1A1
SCHEMBL23399710 0.81 MEN1 (0.34) GCGRDPP4MEN1KMT2AALDH1A1
SCHEMBL23399251 0.81 FYN (0.37) MEN1KMT2AALDH1A1CYP2C9GAA
SCHEMBL23401768 0.80 PGR (0.36) GCGRDPP4MEN1KMT2AALDH1A1

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