SCHEMBL30248286

SCHEMBL30248286

CC(C)C[C@@H](Nc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.71
GRN P28799 3/20 0.50
SORT1 Q99523 3/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 5/20 0.46
LMNA P02545 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1531481 0.85 MAPK1 (0.56) MAPK1ALDH1A1HPGDALOX15HTT
SCHEMBL1531484 0.85 MAPK1 (0.56) MAPK1ALDH1A1HPGDALOX15HTT
SCHEMBL3448513 0.82 MAPK1 (0.56) MAPK1ALDH1A1ALOX15TSHR
SCHEMBL3448516 0.82 MAPK1 (0.56) MAPK1ALDH1A1ALOX15TSHR
SCHEMBL11198315 0.81 ALDH1A1 (0.57) MAPK1GRNSORT1ALDH1A1HTT
SCHEMBL11198311 0.81 ALDH1A1 (0.57) MAPK1GRNSORT1ALDH1A1HTT
SCHEMBL6705695 0.81 GRN (0.62) MAPK1GRNSORT1ALDH1A1HTT
SCHEMBL6705696 0.81 GRN (0.62) MAPK1GRNSORT1ALDH1A1HTT
SCHEMBL4448947 0.80 HPGD (0.54) MAPK1ALDH1A1HPGDALOX15TP53
SCHEMBL4448945 0.80 HPGD (0.54) MAPK1ALDH1A1HPGDALOX15TP53

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
WO-2023055702-A1 MAIN PROTEASE (M PRO) INHIBITORS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-04-06 WO disclosed