SCHEMBL8798136

SCHEMBL8798136

Cc1cc(C)c2c(c1)OCc1ccccc1C2OC(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
NLRP3 Q96P20 4/20 0.38
LPAR1 Q92633 5/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.33
RIPK1 Q13546 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8797254 0.86 NLRP3 (0.36) TP53NLRP3LPAR1MAPK1LMNA
SCHEMBL8797727 0.86 TP53 (0.49) TP53NLRP3LPAR1LMNAKMT2A
SCHEMBL8797534 0.85 NLRP3 (0.39) TP53NLRP3LPAR1MAPK1LMNA
SCHEMBL8797400 0.85 NLRP3 (0.39) NLRP3LPAR1MAPK1LMNAKMT2A
SCHEMBL8797236 0.85 LPAR1 (0.43) NLRP3LPAR1MAPK1LMNAKMT2A
SCHEMBL8798206 0.82 NLRP3 (0.37) NLRP3LPAR1MAPK1LMNAKMT2A
SCHEMBL8797985 0.82 NLRP3 (0.35) NLRP3LPAR1MAPK1LMNAKMT2A
SCHEMBL8797723 0.80 LPAR1 (0.44) NLRP3LPAR1MAPK1LMNAKMT2A
SCHEMBL8797373 0.80 LPAR1 (0.44) NLRP3LPAR1MAPK1LMNAKMT2A
SCHEMBL8798116 0.79 TBXAS1 (0.39) NLRP3LPAR1MAPK1LMNAKMT2A

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
EP-0497201-B1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO KK (JP) 1997-01-15 EP claimed