SCHEMBL8797985

SCHEMBL8797985

Cc1cc(Cl)c2c(c1C)C(OC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.35
MAPK1 P28482 1/20 0.35
LPAR1 Q92633 5/20 0.35
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ROCK2 O75116 2/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8798206 0.90 NLRP3 (0.37) NLRP3MAPK1LPAR1KMT2AALDH1A1
SCHEMBL8797221 0.86 KMT2A (0.38) LPAR1KMT2AALDH1A1S1PR4S1PR5
SCHEMBL8797400 0.85 NLRP3 (0.39) NLRP3MAPK1LPAR1KMT2AALDH1A1
SCHEMBL8798136 0.82 TP53 (0.42) NLRP3MAPK1LPAR1KMT2AALDH1A1
SCHEMBL8797254 0.81 NLRP3 (0.36) NLRP3MAPK1LPAR1KMT2AALDH1A1
SCHEMBL8797534 0.81 NLRP3 (0.39) NLRP3MAPK1LPAR1KMT2AALDH1A1
SCHEMBL8797723 0.79 LPAR1 (0.44) NLRP3MAPK1LPAR1KMT2AALDH1A1
SCHEMBL8797236 0.78 LPAR1 (0.43) NLRP3MAPK1LPAR1KMT2ALMNA
SCHEMBL8797517 0.78 KMT2A (0.38) LPAR1KMT2AALDH1A1S1PR4S1PR5
SCHEMBL8797373 0.75 LPAR1 (0.44) NLRP3MAPK1LPAR1KMT2AALDH1A1

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