SCHEMBL8534969

SCHEMBL8534969

Cc1ccc([C@@H](N[C]=O)C(=O)NC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 3/20 0.37
TXNRD1 Q16881 2/20 0.37
GPR88 Q9GZN0 1/20 0.36
POLB P06746 3/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
ADRB3 P13945 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8534971 0.78 TXNRD1 (0.39) SMN1; SMN2NPC1RAB9AHPGDTXNRD1
SCHEMBL8537928 0.73 GPR88 (0.47) SMN1; SMN2NPC1RAB9AHPGDTXNRD1
SCHEMBL1507761 0.68 HPGD (0.49) SMN1; SMN2NPC1RAB9AHPGDGAA
SCHEMBL9152364 0.65 MAPT (0.46) SMN1; SMN2GPR88POLBGAATP53
SCHEMBL9152358 0.65 MAPT (0.46) SMN1; SMN2GPR88POLBGAATP53
SCHEMBL15787498 0.64 ROCK2 (0.52) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL15787501 0.64 ROCK2 (0.52) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL13611896 0.64 GPR88 (0.49) SMN1; SMN2GPR88POLBLMNAALDH1A1
SCHEMBL2264435 0.63 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9AHPGDGAA
SCHEMBL11266612 0.62 USP2 (0.44) SMN1; SMN2NPC1RAB9AHPGDGPR88

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-5849951-A Synthesis of carboxylic and hydroxamic acid derivatives BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-12-15 US disclosed