SCHEMBL4728764

SCHEMBL4728764

CC(C)n1c2ccccc2c2cc(C=O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PTGER4 P35408 5/20 0.56
NPY5R Q15761 4/20 0.49
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
KIF11 P52732 1/20 0.42
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.41
RORC P51449 2/20 0.41
RORA P35398 1/20 0.40
RORB Q92753 1/20 0.40
SRC P12931 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL8687281 0.92 PTGER4 (0.49) MEN1KMT2APTGER4NPY5RKIF11
SCHEMBL7150908 0.88 PTGER4 (0.53) MEN1KMT2APTGER4NPY5RKIF11
SCHEMBL11784259 0.84 KMT2A (0.52) MEN1KMT2APTGER4NPY5RBCHE
SCHEMBL718797 0.81 PTGER4 (0.64) MEN1KMT2APTGER4POLBHTT
SCHEMBL29570020 0.81 PTGER4 (0.64) MEN1KMT2APTGER4POLBHTT
SCHEMBL8651388 0.80 PTGER4 (0.63) MEN1KMT2APTGER4NPY5RPOLB
SCHEMBL29780042 0.78 BCHE (0.59) MEN1KMT2ANPY5RBCHEACHE
SCHEMBL150044 0.78 BCHE (0.59) MEN1KMT2ANPY5RBCHEACHE
SCHEMBL4726731 0.78 KMT2A (0.54) MEN1KMT2APTGER4NPY5RBCHE
SCHEMBL22166470 0.78 PTGER4 (0.56) MEN1KMT2APTGER4KIF11POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396278-A Carbazole derivatives as dopamine D3 receptor selectivity modulators 北京大学 2023-07-07 CN disclosed
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed