SCHEMBL9835513

SCHEMBL9835513

Cc1cc2c(c3oc4ccccc4c(=O)c13)CC(C(=O)O)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.47
▸ TTR P02766 3/20 0.46
▸ KDM5A P29375 1/20 0.40
▸ IKBKB O14920 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ACSL3 O95573 1/20 0.38
▸ ACSL1 P33121 1/20 0.38
▸ ACSL6 Q9UKU0 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MGAM O43451 1/20 0.36

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
SCHEMBL9836636 0.80 PTGS2 (0.47) MAOATTRKDM5AALDH1A1KDM4E
SCHEMBL10871145 0.79 MGAM (0.42) MAOATTRALDH1A1KDM4EMAPT
SCHEMBL9834130 0.79 TTR (0.52) MAOATTRALDH1A1KDM4EMAPT
SCHEMBL9834701 0.78 MAOA (0.49) MAOATTRKDM5AIKBKBALDH1A1
SCHEMBL10537230 0.72 TTR (0.44) MAOATTRKDM5AALDH1A1KDM4E
SCHEMBL9837053 0.72 TTR (0.49) MAOATTRALDH1A1KDM4EMAPT
SCHEMBL9835296 0.72 TTR (0.52) MAOATTRALDH1A1KDM4EMAPT
SCHEMBL9834425 0.72 MAOA (0.36) MAOAALDH1A1KDM4EMAPTKMT2A
SCHEMBL9834940 0.72 TTR (0.46) MAOATTRALDH1A1KDM4EMAPT
Acetic Acid SCHEMBL6239723 0.70 TTR (0.55) MAOATTRKDM5AIKBKBALDH1A1

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
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
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