SCHEMBL6076714

SCHEMBL6076714

CC(C)CC(=O)NCc1cccs1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.66
ALDH1A1 P00352 2/20 0.66
USP2 O75604 1/20 0.64
POLB P06746 3/20 0.59
TSHR P16473 2/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 1/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL6076797 0.84 USP2 (0.69) HPGDALDH1A1USP2POLBTSHR
SCHEMBL1709325 0.81 HPGD (0.72) HPGDALDH1A1USP2POLBTSHR
SCHEMBL1107021 0.80 GAA (0.62) HPGDALDH1A1USP2POLBTSHR
SCHEMBL5248141 0.80 HPGD (0.74) HPGDALDH1A1USP2POLBTSHR
SCHEMBL5248148 0.80 HPGD (0.74) HPGDALDH1A1USP2POLBTSHR
SCHEMBL10253878 0.79 GAA (0.60) HPGDALDH1A1USP2POLBTSHR
SCHEMBL8269659 0.79 USP2 (0.76) HPGDALDH1A1USP2POLBTSHR
SCHEMBL28741579 0.78 HPGD (0.72) HPGDALDH1A1USP2POLBTSHR
SCHEMBL13438260 0.78 USP2 (0.93) HPGDALDH1A1USP2POLBTSHR
SCHEMBL4091917 0.78 HPGD (0.72) HPGDALDH1A1USP2POLBTSHR

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-7098247-B2 Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US disclosed