SCHEMBL23398444

SCHEMBL23398444

Cc1ccc(-c2c(O)c(CC(C)C)nn2C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DPP4 P27487 11/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 2/20 0.36
RET P07949 1/20 0.33
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
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL23401623 0.87 HTR2A (0.42) HTR2AHTR2CHTR2BHPGDKDM4E
SCHEMBL23401092 0.87 HTR2A (0.44) HTR2AHTR2CHTR2BKDM4EHSD17B10
SCHEMBL23403683 0.84 HTR2A (0.45) HTR2AHTR2CHTR2BKDM4EUSP2
SCHEMBL23403123 0.84 HPGD (0.38) HTR2AHTR2CHTR2BHPGDKDM4E
SCHEMBL23400346 0.83 SRC (0.39) HPGDKDM4EUSP2HSD17B10DPP4
SCHEMBL23401967 0.82 HPGD (0.37) HTR2AHTR2CHTR2BHPGDKDM4E
SCHEMBL23401378 0.82 MAPT (0.38) HTR2AHTR2CHTR2BHPGDKDM4E
SCHEMBL23399601 0.82 HTR2A (0.40) HTR2AHTR2CHTR2BKDM4EUSP2
SCHEMBL23402598 0.81 PTGS2 (0.43) HPGDKDM4EUSP2HSD17B10DPP4
SCHEMBL23403688 0.81 DPP4 (0.42) HTR2AHTR2CHTR2BHPGDKDM4E

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