SCHEMBL8201304

SCHEMBL8201304

Cc1ccc(C(N)=O)s1.Cc1ccc(C=O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 1/20 0.46
UBE2I P63279 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
F2 P00734 1/20 0.44
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TDP1 Q9NUW8 3/20 0.39

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
SCHEMBL8429397 0.85 F2 (0.54) DAOALDH1A1F2MAPTKMT2A
SCHEMBL279675 0.85
SCHEMBL40949 0.81
Acetic Acid SCHEMBL28207221 0.80 MAPT (0.47) DAOALDH1A1HPGDKDM4ELMNA
SCHEMBL8946118 0.79 MAPT (0.50) DAOALDH1A1HPGDKDM4ELMNA
SCHEMBL28521661 0.79 PARP10 (0.45) ALDH1A1HPGDKDM4ELMNAUBE2I
Trifluoroacetic Acid SCHEMBL5659511 0.74 DAO (0.55) DAOALDH1A1HPGDF2NPC1
SCHEMBL7799593 0.74 PTGS1 (0.50) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4155363 0.70 F2 (0.46) DAOALDH1A1HPGDKDM4ELMNA
SCHEMBL10674835 0.70 DPP4 (0.53) ALDH1A1HPGDKDM4EMAPTNPC1

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
EP-0973498-A1 GASTROINTESTINAL MUCOSA-ADHERENT PHARMACEUTICAL COMPOSITION Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed
WO-1998042311-A1 GASTROINTESTINAL MUCOSA-ADHERENT PHARMACEUTICAL COMPOSITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed