SCHEMBL8424831

SCHEMBL8424831

Cc1ccc(C(=O)NC(C)CC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HPGD P15428 4/20 0.51
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 4/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.49
NPC1 O15118 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HSP90AA1 P07900 1/20 0.46
MLYCD O95822 1/20 0.45

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
SCHEMBL7670820 0.86 RAB9A (0.63) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL10127295 0.82 CA2 (0.49) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL12302079 0.82 MEN1 (0.58) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL12302080 0.82 MEN1 (0.58) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL14817937 0.82 MEN1 (0.58) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL24175853 0.82 ALDH1A1 (0.68) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL7660841 0.82 TAS1R3 (0.57) SMN1; SMN2KMT2AMEN1ALDH1A1RAB9A
SCHEMBL15904693 0.81 KMT2A (0.50) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL29277520 0.80 CA2 (0.62) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL2852773 0.80 RAB9A (0.69) SMN1; SMN2KMT2AMEN1HPGDALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP claimed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO claimed
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP disclosed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO disclosed