SCHEMBL4022213

SCHEMBL4022213

CC(=O)N/C(=C/C(=O)O)c1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
EPHX2 P34913 1/20 0.39
TBXAS1 P24557 2/20 0.38
EGFR P00533 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35

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
SCHEMBL5072835 0.80 MTNR1A (0.44) KMT2AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL388144 0.80 MTNR1A (0.44) KMT2AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL6648182 0.80 MTNR1A (0.44) KMT2AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL387761 0.79 MTNR1A (0.43) KMT2AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL9010720 0.75 MAPK1 (0.56) KMT2AALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL11719081 0.75 ELANE (0.53) KMT2AALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL19449792 0.74 EPHX2 (0.41) KMT2AEPHX2ALDH1A1LMNAHDAC1
SCHEMBL11055560 0.73 CA12 (0.48) KMT2AALDH1A1LMNAHDAC1HDAC6
SCHEMBL2959585 0.72 PDPK1 (0.43) EPHX2ALDH1A1HDAC1PPARGPPARA
SCHEMBL12168641 0.72 PPARG (0.43) KMT2AEPHX2ALDH1A1LMNAPPARG

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-1945621-B1 PROCESS TO PREPARE AMINO ACID DERIVATIVES REDDY S LAB EU LTD DR (GB) 2009-04-15 EP disclosed