SCHEMBL7987606

SCHEMBL7987606

COC(=O)C=CCc1ccccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.49
PTGER3 P43115 5/20 0.49
PTGER2 P43116 5/20 0.49
PTGER1 P34995 4/20 0.49
GAA P10253 2/20 0.48
BRD4 O60885 1/20 0.48
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
HDAC8 Q9BY41 1/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ABCB1 P08183 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL7987601 1.00 PTGER4 (0.49) PTGER4PTGER3PTGER2PTGER1GAA
SCHEMBL6176435 0.80 NPC1 (0.55) ALDH1A1RAB9A
SCHEMBL6176427 0.80 NPC1 (0.55) ALDH1A1RAB9A
SCHEMBL7148105 0.79 MAOB (0.50) ALDH1A1LMNAMAPTPOLBRAB9A
SCHEMBL7150103 0.79 MAOB (0.50) ALDH1A1LMNAMAPTPOLBRAB9A
SCHEMBL8262659 0.79 MAOB (0.50) ALDH1A1LMNAMAPTPOLBRAB9A
SCHEMBL10535624 0.78 GAA (0.48) PTGER4PTGER3PTGER2PTGER1GAA
SCHEMBL10689694 0.78 HTR1A (0.57) PTGER4PTGER3PTGER2PTGER1GAA
SCHEMBL7770104 0.78 PTGER4 (0.70) PTGER4PTGER3PTGER2PTGER1BRD4
SCHEMBL19651747 0.78 PTGER4 (0.70) PTGER4PTGER3PTGER2PTGER1BRD4

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
US-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 EP disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed