SCHEMBL8797616

SCHEMBL8797616

CCc1cccc(CC)c1NC(=O)OC1c2ccccc2COc2c(C)ccc(C)c21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
NLRP3 Q96P20 2/20 0.39
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
ROCK2 O75116 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 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
SCHEMBL8797400 0.85 NLRP3 (0.39) NLRP3MAPTSMN1; SMN2LMNA
SCHEMBL8797149 0.82 HTT (0.41) TP53NLRP3TDP1POLBRAB9A
SCHEMBL8797294 0.82 TP53 (0.38) TP53NLRP3TDP1POLBRAB9A
SCHEMBL8798206 0.79 NLRP3 (0.37) NLRP3MAPTROCK2SMN1; SMN2LMNA
SCHEMBL8797985 0.71 NLRP3 (0.35) NLRP3TDP1MAPTROCK2SMN1; SMN2
SCHEMBL8798136 0.70 TP53 (0.42) TP53NLRP3SMN1; SMN2LMNA
SCHEMBL8798200 0.69 TP53 (0.48) TP53TDP1POLBRAB9AMAPT
SCHEMBL8797278 0.69 TP53 (0.41) TP53NLRP3TDP1POLBRAB9A
SCHEMBL8797868 0.69 KMT2A (0.40) TP53NLRP3TDP1HTTSMN1; SMN2
SCHEMBL8797263 0.68 HDAC4 (0.35) TP53RAB9AHTT

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