SCHEMBL9767895

SCHEMBL9767895

CC(C)(C)OC(=O)n1cncc1C=CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
TBXAS1 P24557 2/20 0.35
PIM1 P11309 1/20 0.34
MARK3 P27448 1/20 0.34
MAP4K2 Q12851 1/20 0.34
CAMK2B Q13554 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
BCHE P06276 1/20 0.33
FAAH O00519 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR119 Q8TDV5 5/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1089057 0.82 PIM1 (0.37) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL1199490 0.74 ALDH1A1 (0.39) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL7654635 0.73 PIM1 (0.39) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL9516130 0.72 PIM1 (0.38) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL6555359 0.72 PIM1 (0.38) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL6570159 0.72 TBXAS1 (0.43) MAPK1KMT2ATBXAS1KDM4EBLM
SCHEMBL5591568 0.72 TBXAS1 (0.43) MAPK1KMT2ATBXAS1KDM4EBLM
SCHEMBL6555080 0.71 PIM1 (0.35) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL4149607 0.70 PIM1 (0.37) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL16060936 0.69 PIM1 (0.36) PIM1MARK3MAP4K2CAMK2BPIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006548-A Hyaluronidase inhibitors, antiallergens, immunomodulators SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-04-09 US disclosed
EP-0153850-B1 ACRYLAMIDOBENZOIC ACID DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-09-13 EP disclosed
EP-0153850-A1 Acrylamidobenzoic acid derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1985-09-04 EP disclosed