SCHEMBL9835701

SCHEMBL9835701

O=C(O)COc1cc(Br)c2oc3ccccc3c(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
KDM4E B2RXH2 5/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 6/20 0.51
ACSL1 P33121 3/20 0.50
ACSL6 Q9UKU0 2/20 0.50
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
POLB P06746 2/20 0.46
TTR P02766 2/20 0.46
HPGD P15428 2/20 0.45
MAOA P21397 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL10534569 0.84 LMNA (0.44) LMNAKDM4EGAAALDH1A1AKR1C3
SCHEMBL1247012 0.81 LMNA (0.82) LMNAKDM4EGAAALDH1A1ACSL1
SCHEMBL9837487 0.78 LMNA (0.72) LMNAKDM4EGAAALDH1A1ACSL1
SCHEMBL9836000 0.77 NPC1 (0.53) LMNAKDM4EGAAALDH1A1ACSL1
SCHEMBL9837103 0.75 ALDH1A1 (0.58) LMNAKDM4EGAAALDH1A1ACSL1
SCHEMBL9836670 0.74 MAOA (0.59) KDM4EGAAALDH1A1TTRHPGD
SCHEMBL29164297 0.74 MAOA (0.55) LMNAKDM4EALDH1A1TTRHPGD
SCHEMBL9836869 0.74 LMNA (0.59) LMNAKDM4EGAAALDH1A1ACSL1
SCHEMBL20322862 0.73 LMNA (1.00) LMNAKDM4EGAAALDH1A1ACSL1
SCHEMBL9834762 0.73 LMNA (0.57) LMNAKDM4EGAAALDH1A1ACSL1

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