SCHEMBL9203763

SCHEMBL9203763

CCCc1onc(C(=O)NC(C)(C)C)c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.36
KMT2A Q03164 9/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 8/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 4/20 0.34
NPY1R P25929 2/20 0.34
NPY2R P49146 2/20 0.34
RAB9A P51151 1/20 0.33
GHSR Q92847 1/20 0.33
RECQL P46063 3/20 0.33
HPGD P15428 3/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9203768 0.80 GABRA5 (0.33) NPY1RSMN1; SMN2ALDH1A1
SCHEMBL9596014 0.79 LMNA (0.36) MEN1KMT2APOLBLMNAHTT
SCHEMBL9203061 0.77 LMNA (0.48) KMT2APOLBLMNAL3MBTL1GAA
SCHEMBL17483121 0.74 SMURF1 (0.37) POLBL3MBTL1GAAALDH1A1
SCHEMBL8986726 0.69 TRPV1 (0.44) MEN1KMT2APOLBLMNAHTT
SCHEMBL9240927 0.69 GAA (0.38) MEN1KMT2APOLBLMNAL3MBTL1
SCHEMBL9590076 0.69 ALDH1A1 (0.53) LMNAHTTHPGDSMN1; SMN2ALDH1A1
SCHEMBL28240463 0.68 GRIA1 (0.41) POLBSMN1; SMN2
SCHEMBL9198074 0.68 ALDH1A1 (0.35) MEN1KMT2APOLBLMNAHTT
SCHEMBL16571451 0.67 GRIA1 (0.41) POLBLMNARAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3130270-A None JP disclosed
EP-0418667-B1 Carboxylic acid amides BASF AG (DE) 1995-08-16 EP disclosed
US-5254672-A Antigenic BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1993-10-19 US disclosed
US-5201932-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
JP-H03130270-A NEW CARBOXAMIDE AND HERBICIDE BASF AG 1991-06-04 JP disclosed