SCHEMBL23712946

SCHEMBL23712946

C=C(C)C(=O)COc1ccc(Cl)c2c(=O)c3ccccc3sc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HCRTR1 O43613 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
POLB P06746 3/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 3/20 0.36

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
SCHEMBL19389781 0.89 MAPT (0.41) MAPTRAB9ANPC1HPGDCYP1A2
SCHEMBL2126462 0.85 PTPN1 (0.49) MAPTRAB9ANPC1HPGDCYP1A2
SCHEMBL16434697 0.85 MAPT (0.40) MAPTRAB9ANPC1HPGDCYP1A2
SCHEMBL30080217 0.85 PTPN1 (0.49) MAPTRAB9ANPC1HPGDCYP1A2
SCHEMBL13859939 0.83 F9 (0.46) MAPTRAB9ANPC1HPGDCYP1A2
SCHEMBL8064925 0.82 ROCK2 (0.42) MAPTRAB9ANPC1HPGDCYP1A2
SCHEMBL14556883 0.81 MAPT (0.45) MAPTRAB9ANPC1HPGDCYP1A2
SCHEMBL25556855 0.80 ALDH1A1 (0.41) MAPTRAB9ANPC1HPGDCYP1A2
SCHEMBL8080077 0.80 MAPT (0.44) MAPTRAB9ANPC1HPGDCYP1A2
SCHEMBL4537591 0.80 POLB (0.38) MAPTRAB9ANPC1HPGDCYP1A2

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-3858634-A1 A METHOD OF PRINTING Tetra Laval Holdings & Finance S.A. (CH) 2021-08-04 EP disclosed