SCHEMBL6507338

SCHEMBL6507338

CCOC(=O)C1CCN(c2cccc(C(C)Oc3ccc(F)cc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.49
ALDH1A1 P00352 6/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
PDK2 Q15119 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.45
NOTUM Q6P988 1/20 0.44
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6506047 0.87 NOTUM (0.57) NOTUM
SCHEMBL6503652 0.83 CCR8 (0.59) LGMNALDH1A1RECQLMEN1KMT2A
SCHEMBL6526867 0.83 NOTUM (0.62) LGMNALDH1A1MEN1KMT2APDK2
SCHEMBL29838655 0.81 LGMN (0.61) LGMNALDH1A1RECQLMEN1KMT2A
SCHEMBL16933549 0.80 LGMN (0.56) LGMNALDH1A1RECQLMEN1KMT2A
SCHEMBL6510215 0.80 F10 (0.56) LGMNALDH1A1RECQLPDK2TDP1
SCHEMBL1749330 0.78 MAPT (0.68) LGMNALDH1A1RECQLMEN1KMT2A
SCHEMBL13896504 0.76 ALDH1A1 (0.69) LGMNALDH1A1MEN1GAAKMT2A
SCHEMBL6502658 0.76 LGMN (0.64) LGMNALDH1A1MEN1KMT2APDK2
SCHEMBL16649043 0.75 MAPT (0.61) LGMNALDH1A1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005077368-A2 TREATMENT OF GASTRO-ESOPHAGEAL REFLUX DISEASE (GERD) ASTRAZENECA AB (SE) 2005-08-25 WO claimed
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed