SCHEMBL9836804

SCHEMBL9836804

Cc1c(OCC(=O)O)ccc2c(=O)c3ccccc3oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.56
MAOB P27338 2/20 0.56
FHIT P49789 1/20 0.56
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 6/20 0.54
GAA P10253 1/20 0.53
PSMD14 O00487 1/20 0.50
MMP2 P08253 1/20 0.50
BLM P54132 1/20 0.50
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GLA P06280 1/20 0.48
STING1 Q86WV6 1/20 0.48
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48

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
SCHEMBL30668699 0.86 KDM4E (0.61) MAOAMAOBKDM4EALDH1A1GAA
SCHEMBL9837083 0.85 ALDH1A1 (0.54) MAOAKDM4EALDH1A1GAANPC1
SCHEMBL9835769 0.83 FHIT (0.52) MAOAMAOBFHITKDM4EALDH1A1
Water SCHEMBL15286686 0.81 MAOA (0.79) MAOAMAOBFHITKDM4EALDH1A1
SCHEMBL9836782 0.78 KMT2A (0.57) KDM4EALDH1A1GAANPC1LMNA
SCHEMBL9836748 0.78 KMT2A (0.57) KDM4EALDH1A1GAANPC1LMNA
Acetic Acid SCHEMBL1268504 0.76 GLA (0.58) MAOAKDM4EALDH1A1GAANPC1
SCHEMBL7184162 0.76 MAOA (0.52) MAOAMAOBFHITKDM4EALDH1A1
SCHEMBL9837024 0.75 KDM4E (0.52) MAOAKDM4EALDH1A1GAANPC1
SCHEMBL6109279 0.75 KDM4E (0.77) MAOBFHITKDM4EALDH1A1GAA

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
EP-0175376-B1 XANTHONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1991-04-03 EP disclosed
US-4816479-A HYPOTENSIVE AGENTS, DIURETICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1989-03-28 US disclosed
US-4661607-A ANTIEDEMIC AGENTS, HYPOTENSIVE AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1987-04-28 US disclosed
EP-0175376-A2 Xanthone derivatives and process for producing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1986-03-26 EP disclosed