SCHEMBL23403240

SCHEMBL23403240

CCc1nn(C(C)C)c(O)c1-c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.42
HEXB P07686 1/20 0.42
USP7 Q93009 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
GCGR P47871 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
DPP4 P27487 6/20 0.33
DPP9 Q86TI2 4/20 0.33
DPP8 Q6V1X1 3/20 0.33
RET P07949 1/20 0.32
POLB P06746 1/20 0.32
FPR1 P21462 1/20 0.32
PKM P14618 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
MAPK1 P28482 2/20 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
SCHEMBL23403688 0.86 DPP4 (0.42) HTR2AHTR2CHTR2BHPGDDPP4
SCHEMBL23402824 0.85 GCGR (0.43) HTR2AHTR2CHTR2BGCGRDPP4
SCHEMBL23399862 0.83 HTR2A (0.39) HEXAHEXBHTR2AHTR2CHTR2B
SCHEMBL23399022 0.81 HEXA (0.44) HEXAHEXBUSP7GCGRALDH1A1
SCHEMBL23402553 0.81 HEXA (0.42) HEXAHEXBUSP7GCGRALDH1A1
SCHEMBL23401092 0.80 HTR2A (0.44) HEXAHEXBUSP7HTR2AHTR2C
SCHEMBL23403216 0.79 HEXA (0.46) HEXAHEXBUSP7HTR2AHTR2B
SCHEMBL23399190 0.79 SRC (0.40) HTR2AHTR2CHTR2BRETNPC1
SCHEMBL23402138 0.78 HEXA (0.42) HEXAHEXBUSP7ALDH1A1LMNA
SCHEMBL23400548 0.78 GCGR (0.40) HTR2AHTR2CHTR2BGCGRLMNA

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