SCHEMBL11098624

SCHEMBL11098624

Cc1cc(=O)n(C)c2ccc(O)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
NQO2 P16083 3/20 0.61
PARG Q86W56 1/20 0.51
ALOX5 P09917 3/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
WEE1 P30291 1/20 0.46
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
KAT2B Q92831 1/20 0.44
BRD1 O95696 1/20 0.44
BRPF1 P55201 1/20 0.44
HSD17B10 Q99714 3/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
GAA P10253 3/20 0.42
GLA P06280 2/20 0.42
CYP19A1 P11511 2/20 0.41

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
SCHEMBL9869325 0.86 KDM4E (0.61) KDM4ENQO2PARGKAT2BHSD17B10
SCHEMBL12090570 0.81 NQO2 (0.65) KDM4ENQO2PARGKAT2BBRD1
SCHEMBL16292510 0.79 NQO2 (0.61) KDM4ENQO2PARGKAT2BBRD1
SCHEMBL30349904 0.79 NQO2 (0.61) KDM4ENQO2PARGKAT2BBRD1
SCHEMBL21979134 0.79 NQO2 (0.61) KDM4ENQO2PARGKAT2BBRD1
SCHEMBL15564817 0.79 NQO2 (0.61) KDM4ENQO2PARGKAT2BBRD1
SCHEMBL17576254 0.79 NQO2 (0.61) KDM4ENQO2PARGKAT2BBRD1
SCHEMBL19330830 0.78 MAPT (0.55) KDM4ENQO2ALOX5PTGS1PTGS2
SCHEMBL24716706 0.78 NQO2 (0.55) KDM4ENQO2PARGKAT2BBRD1
SCHEMBL16189690 0.77 KDM4E (0.54) KDM4ENQO2KAT2BHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4427680-A ANTHISTAMINES BOEHRINGER MANNHEIM GMBH (DE) 1984-01-24 US disclosed
US-4330549-A Coumarins connected via an oxyalkyl group with a piperidine ring having anti-allergic action BOEHRINGER MANNHEIM GMBH (DE) 1982-05-18 US disclosed
EP-0013894-B1 ARYLETHERS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1982-02-03 EP disclosed
EP-0006506-B1 CARBOSTYRILE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-09-16 EP disclosed
US-4234585-A ANTIALLERGENS, HYPOTENSIVE BOEHRINGER MANNHEIM GMBH (DE) 1980-11-18 US disclosed
EP-0006506-A1 Carbostyrile derivatives, processes for their preparation and pharmaceutical compositions containing them Roche Diagnostics GmbH (DE) 1980-01-09 EP disclosed