SCHEMBL7993658

SCHEMBL7993658

COc1cc(C(O)C(C(=O)O)c2ccc3c(c2)OCO3)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NQO1 P15559 1/20 0.46
GAA P10253 1/20 0.46
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45

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
SCHEMBL7986890 0.84 EDNRA (0.52) KMT2AMAPTTP53ALDH1A1MAPK1
SCHEMBL7990464 0.83 MAPK9 (0.54) KMT2AALDH1A1MAPK1CYP3A4
SCHEMBL3621060 0.82 CYP3A4 (0.53) KMT2AMAPTTP53ALDH1A1MAPK1
SCHEMBL7987077 0.79 NPC1 (0.55) KMT2AMAPTALDH1A1MAPK1KDM4E
SCHEMBL7987319 0.79 MAPK1 (0.50) KMT2AALDH1A1MAPK1KDM4ECYP3A4
SCHEMBL3625103 0.78 CYP3A4 (0.51) KMT2AMAPTTP53ALDH1A1MAPK1
SCHEMBL7989760 0.77 ALDH1A1 (0.59) KMT2AMAPTALDH1A1MAPK1CYP3A4
SCHEMBL3621067 0.77 CYP3A4 (0.50) KMT2AMAPTTP53ALDH1A1MAPK1
SCHEMBL7976622 0.76 MAPK9 (0.47) KMT2AALDH1A1MAPK1KDM4ECYP3A4
SCHEMBL7976072 0.75 MAPK9 (0.52) KMT2AALDH1A1MAPK1KDM4ECYP3A4

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