SCHEMBL23401511

SCHEMBL23401511

Cc1ccc(-c2c(O)nn(C(C)C)c2CC(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
RET P07949 1/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
GCGR P47871 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BCL2 P10415 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
SCHEMBL23400944 0.87 GRIA2 (0.39) HTR2AHTR2CHTR2BRETHPGD
SCHEMBL23398440 0.87 BCL2 (0.34) DPP4HTR2AHTR2CHTR2BRET
SCHEMBL23403256 0.82 GCGR (0.42) DPP4HTR2AHTR2CHTR2BNPC1
SCHEMBL23402592 0.81 DPP4 (0.36) DPP4DPP8DPP9HPGDMEN1
SCHEMBL23399480 0.81 SMN1; SMN2 (0.37) DPP4DPP8DPP9MEN1NPC1
SCHEMBL23398613 0.80 DPP4 (0.36) DPP4DPP8DPP9RETHPGD
SCHEMBL23398499 0.80 HTR2A (0.38) HTR2AHTR2CHTR2BRETHPGD
SCHEMBL23402105 0.79 PIK3CD (0.39) HTR2AHTR2CHTR2BRETHPGD
SCHEMBL23400953 0.78 HTR2A (0.47) HTR2AHTR2CHTR2BRETMEN1
SCHEMBL23403688 0.78 DPP4 (0.42) DPP4DPP8DPP9HTR2AHTR2C

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