SCHEMBL9868477

SCHEMBL9868477

Cc1c(C(=O)O)oc2c(C(C)(C)C)ccc(O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.43
GPR35 Q9HC97 1/20 0.40
HPGD P15428 4/20 0.39
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
EDNRA P25101 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
RARA P10276 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL10737005 0.84 MCL1 (0.50) MCL1GPR35HPGDKDM4EL3MBTL1
SCHEMBL9866325 0.82 RAB9A (0.58) HPGDKDM4EL3MBTL1MEN1KMT2A
SCHEMBL9868498 0.79 GLRA3 (0.49) MCL1GPR35HPGDKDM4EL3MBTL1
SCHEMBL9869198 0.77 EDNRA (0.47) MCL1GPR35HPGDKDM4EL3MBTL1
SCHEMBL9867950 0.70 NPC1 (0.38) MCL1HPGDKDM4EL3MBTL1EDNRA
SCHEMBL3611742 0.69 MAPT (0.65) MCL1GPR35HPGDKDM4EEDNRA
SCHEMBL17843607 0.68 MCL1 (0.61) MCL1GPR35HPGDKDM4EL3MBTL1
SCHEMBL9868574 0.68 MCL1 (0.39) MCL1HPGDKDM4EL3MBTL1MEN1
SCHEMBL2269577 0.66 ALDH1A1 (0.37) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL10743811 0.64 EDNRA (0.49) MCL1GPR35HPGDKDM4EL3MBTL1

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
US-5006549-A Antiinflammatory agents MERCK & CO., INC. (US) 1991-04-09 US disclosed
EP-0399773-A1 Novel 7-aroyl-4-hydroxy-3-methyl benzolfurans as dual inhibitors of cyclooxygenase and 5-lipoxygenase MERCK & CO. INC. (US) 1990-11-28 EP disclosed