SCHEMBL8797769

SCHEMBL8797769

CC(C)c1cccc(C(C)C)c1NC(=O)OC1c2ccccc2CCc2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.47
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
NLRP3 Q96P20 2/20 0.39
ALDH1A1 P00352 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL8797711 0.85 LPAR1 (0.49) LPAR1LMNAKMT2AALDH1A1PLA2G1B
SCHEMBL8797184 0.85 LPAR1 (0.46) LPAR1LMNAKMT2ANLRP3MAPK1
SCHEMBL8797373 0.85 LPAR1 (0.44) LPAR1LMNAKMT2ANLRP3ALDH1A1
SCHEMBL8797534 0.76 NLRP3 (0.39) LPAR1LMNAKMT2ANLRP3ALDH1A1
Hydrochloric Acid SCHEMBL8798332 0.76 LPAR1 (0.36) LPAR1LMNAKMT2ANLRP3ALDH1A1
SCHEMBL8797236 0.76 LPAR1 (0.43) LPAR1LMNAKMT2ANLRP3MAPK1
SCHEMBL8798714 0.75 TBXA2R (0.37) LPAR1KMT2ANLRP3ALDH1A1
SCHEMBL8799633 0.75 LPAR1 (0.35) LPAR1LMNAKMT2ANLRP3ALDH1A1
SCHEMBL8800082 0.75 KMT2A (0.55) LPAR1LMNAKMT2AALDH1A1PLA2G1B
SCHEMBL8797723 0.75 LPAR1 (0.44) LPAR1LMNAKMT2ANLRP3ALDH1A1

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