SCHEMBL8618306

SCHEMBL8618306

CC(C)(C(=O)O)C1c2ccccc2COc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.45
TBXA2R P21731 5/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HRH1 P35367 2/20 0.39
HSD17B3 P37058 1/20 0.38
TBXAS1 P24557 3/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
NOTUM Q6P988 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL8613726 0.86 TBXA2R (0.43) NR3C1TBXA2RTBXAS1
SCHEMBL12142430 0.81 HTR2A (0.43) NR3C1TBXA2RHTR2AHTR2CHRH1
SCHEMBL12205621 0.81 ACP3 (0.44) NR3C1HTR2AHTR2CMAPK1
SCHEMBL12205541 0.81 HDAC4 (0.46) NR3C1HTR2AHTR2CHRH1MAPK1
SCHEMBL12205540 0.81 NR3C1 (0.63) NR3C1
SCHEMBL5756742 0.73 ATM (0.43) TBXA2RHTR2AHTR2CHRH1HSD17B3
SCHEMBL5756737 0.73 ATM (0.43) TBXA2RHTR2AHTR2CHRH1HSD17B3
SCHEMBL12205622 0.72 POLB (0.44) NR3C1ALDH1A1HSD17B10
SCHEMBL12205575 0.71 NR3C1 (0.59) NR3C1ALDH1A1HPGDHSD17B10
SCHEMBL12205738 0.71 NR3C1 (0.49) NR3C1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588608-B1 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1998-05-06 EP disclosed
EP-0588608-A2 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-03-23 EP disclosed