SCHEMBL9869198

SCHEMBL9869198

Cc1c(C(=O)O)oc2ccc(C(C)(C)C)c(O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.47
MCL1 Q07820 4/20 0.44
GPR35 Q9HC97 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.39
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA2 P00918 1/20 0.36
KLK7 P49862 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRA1 P14867 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
SCHEMBL9868567 0.81 RAB9A (0.59) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL10743811 0.81 EDNRA (0.49) EDNRAMCL1GPR35MEN1KMT2A
SCHEMBL27593840 0.81 MCL1 (0.54) EDNRAMCL1GPR35MEN1KMT2A
SCHEMBL27593873 0.78 EDNRA (0.49) EDNRAMCL1GPR35MEN1KMT2A
SCHEMBL9868498 0.77 GLRA3 (0.49) EDNRAMCL1GPR35MEN1KMT2A
SCHEMBL9868477 0.77 MCL1 (0.43) EDNRAMCL1GPR35MEN1KMT2A
SCHEMBL5789823 0.76 EDNRA (0.48) EDNRAMCL1GPR35MEN1KMT2A
SCHEMBL9867950 0.71 NPC1 (0.38) EDNRAMCL1MEN1KMT2AKDM4E
SCHEMBL3611742 0.70 MAPT (0.65) EDNRAMCL1GPR35MEN1KMT2A
SCHEMBL3612485 0.68 EDNRA (0.66) EDNRAMCL1GPR35MEN1KMT2A

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
US-5006549-A Antiinflammatory agents MERCK & CO., INC. (US) 1991-04-09 US disclosed