SCHEMBL10404355

SCHEMBL10404355

C=CCOc1ccc2c(c1)C(CCOc1ccccc1)C(O)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
FGFR1 P11362 1/20 0.36
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35
KAT6A Q92794 1/20 0.35
THRB P10828 1/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA9 Q16790 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL10404356 1.00 MAOB (0.39) MAOBMAOAMEN1KMT2ASMN1; SMN2
SCHEMBL10404833 0.83 KAT6A (0.38) MAOBMAOAMEN1KMT2ASMN1; SMN2
SCHEMBL10401628 0.82 MAPT (0.36) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL10401630 0.82 MAPT (0.36) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL9868008 0.81 MAPT (0.39) MAOBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9868005 0.81 MAPT (0.39) MAOBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10401481 0.69 MAPT (0.37) MAOBMAOAMEN1KMT2ASMN1; SMN2
SCHEMBL10401766 0.68 PPARD (0.33) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL10401577 0.68 MAPT (0.36) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL16371575 0.68 AOC3 (0.54) MEN1KMT2ASMN1; SMN2MAPTLMNA

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
US-4975457-A Antiinflammatory agent; enzyme inhibitor MERCK & CO., INC. (US) 1990-12-04 US disclosed