SCHEMBL8799633

SCHEMBL8799633

CC(C)c1cccc(C(C)C)c1NC(=O)OC1c2ccccc2COc2c1cc(Br)cc2[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
NLRP3 Q96P20 2/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30
TBXA2R P21731 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8797399 0.87 LPAR1 (0.36) LPAR1ALDH1A1HPGDNLRP3LMNA
Hydrochloric Acid SCHEMBL8798332 0.84 LPAR1 (0.36) LPAR1ALDH1A1NLRP3LMNAKMT2A
SCHEMBL8797373 0.82 LPAR1 (0.44) LPAR1ALDH1A1NLRP3LMNAKMT2A
SCHEMBL8797534 0.77 NLRP3 (0.39) LPAR1ALDH1A1NLRP3LMNAKMT2A
SCHEMBL8797236 0.76 LPAR1 (0.43) LPAR1NLRP3LMNAKMT2ATBXA2R
SCHEMBL8797400 0.76 NLRP3 (0.39) LPAR1ALDH1A1NLRP3LMNAKMT2A
SCHEMBL8797769 0.75 LPAR1 (0.47) LPAR1ALDH1A1NLRP3LMNAKMT2A
SCHEMBL8797723 0.75 LPAR1 (0.44) LPAR1ALDH1A1NLRP3LMNAKMT2A
SCHEMBL8797254 0.74 NLRP3 (0.36) LPAR1ALDH1A1NLRP3LMNAKMT2A
SCHEMBL8798206 0.74 NLRP3 (0.37) LPAR1ALDH1A1NLRP3LMNAKMT2A

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