SCHEMBL27780299

SCHEMBL27780299

C=CC(=O)Nc1c(C)cc(O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 9/20 0.52
MAOA P21397 2/20 0.48
MAOB P27338 1/20 0.48
LMNA P02545 2/20 0.43
F13A1 P00488 1/20 0.43
TGM1 P22735 1/20 0.43
TGM3 Q08188 1/20 0.43
CYP3A4 P08684 3/20 0.42
ACHE P22303 2/20 0.42
EPHB4 P54760 2/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM1 P11229 1/20 0.40
ALOX15 P16050 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
KMT2A Q03164 1/20 0.39
CCNK O75909 1/20 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
SCHEMBL1022819 0.86 ALDH1A1 (0.55) TGM2MAOAMAOBLMNAALDH1A1
SCHEMBL12799134 0.79 TGM2 (0.46) TGM2MAOAMAOBLMNAF13A1
SCHEMBL9493239 0.78 EPHB4 (0.53) TGM2MAOAMAOBLMNACYP3A4
SCHEMBL18415453 0.77 ALDH1A1 (0.63) MAOALMNACYP3A4ACHEALDH1A1
SCHEMBL19857150 0.77 CYTH2 (0.48) MAOALMNACYP3A4ACHEALDH1A1
SCHEMBL23293735 0.77 TGM2 (0.47) TGM2MAOAMAOBLMNAF13A1
SCHEMBL20857699 0.75 LMNA (0.56) MAOAMAOBLMNACYP3A4ACHE
SCHEMBL15348740 0.75 LMNA (0.45) TGM2MAOAMAOBLMNAF13A1
SCHEMBL27801542 0.74 TGM2 (0.58) TGM2MAOAMAOBLMNAF13A1
SCHEMBL6880704 0.74 TGM2 (0.58) TGM2LMNAF13A1TGM1TGM3

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
CN-1532566-B Radiation sensitive composition for color filter JSR CORP 2010-05-12 CN claimed