SCHEMBL7840839

SCHEMBL7840839

CCOC(=O)C(c1ccc2c(c1)OCO2)C(C=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.52
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 2/20 0.46
EDNRA P25101 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
NR1H4 Q96RI1 1/20 0.43
PTGER4 P35408 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
PPARG P37231 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL8152135 0.85 KMT2A (0.57) LMNAEDNRANPC1RAB9AMAPT
SCHEMBL7841290 0.83 RAB9A (0.46) L3MBTL1NPC1RAB9AMAPTKMT2A
SCHEMBL27378630 0.82 CYP3A4 (0.43) LMNANPC1RAB9AMAPTKMT2A
SCHEMBL7842489 0.81 RAB9A (0.44) L3MBTL1NPC1RAB9AMAPTKMT2A
SCHEMBL7831716 0.81 RAB9A (0.44) LMNANPC1RAB9AMAPTKMT2A
SCHEMBL7839027 0.81 KDM4E (0.49) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7840091 0.81 CRHBP (0.47) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7838582 0.81 MAPT (0.55) LMNAL3MBTL1NPC1RAB9AMAPT
SCHEMBL7843720 0.80 KDM4E (0.44) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7842082 0.80 NPC1 (0.44) L3MBTL1NPC1RAB9AMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1072660-C 2,1,3-benzothia (oxa) diazole derivatives having an endothelin receptor antagonistic effect MERCK PATENT GMBH (DE) 2001-10-10 CN disclosed
EP-0882030-B1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GMBH (DE) 2001-09-12 EP disclosed
US-6017939-A 2,1,3-benzothia(OXA)diazole derivatives having an endothelin receptor antagonistic effect MERCK PATENT GESELLSCHAFT (DE) 2000-01-25 US disclosed
CN-1216540-A 2,1,3-benzothia (oxa) diazole derivatives having an endothelin receptor antagonistic effect MERCK PATENT GES MIT BESCHRIKT (DE) 1999-05-12 CN disclosed