SCHEMBL8797236

SCHEMBL8797236

Cc1ccc2c(c1)C(OC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.43
KMT2A Q03164 2/20 0.40
NLRP3 Q96P20 4/20 0.39
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
TBXA2R P21731 1/20 0.35

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
SCHEMBL8797373 0.89 LPAR1 (0.44) LPAR1KMT2ANLRP3LMNAMAPK1
SCHEMBL8797723 0.89 LPAR1 (0.44) LPAR1KMT2ANLRP3LMNAMAPK1
SCHEMBL8797534 0.89 NLRP3 (0.39) LPAR1KMT2ANLRP3LMNAMAPK1
SCHEMBL8798116 0.88 TBXAS1 (0.39) LPAR1KMT2ANLRP3LMNAMAPK1
SCHEMBL8797184 0.86 LPAR1 (0.46) LPAR1KMT2ANLRP3LMNAMAPK1
SCHEMBL8797272 0.85 TP53 (0.45) LPAR1KMT2ANLRP3LMNATBXA2R
SCHEMBL8798136 0.85 TP53 (0.42) LPAR1KMT2ANLRP3LMNAMAPK1
SCHEMBL8797254 0.81 NLRP3 (0.36) LPAR1KMT2ANLRP3LMNAMAPK1
SCHEMBL8797400 0.80 NLRP3 (0.39) LPAR1KMT2ANLRP3LMNAMAPK1
SCHEMBL8798714 0.80 TBXA2R (0.37) LPAR1KMT2ANLRP3CYP3A4TBXA2R

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