SCHEMBL9834762

SCHEMBL9834762

Cc1cc(OCC(=O)O)cc2oc3ccccc3c(=O)c12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 6/20 0.53
GAA P10253 2/20 0.53
KMT2A Q03164 1/20 0.53
MAOA P21397 3/20 0.52
HPGD P15428 2/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
HSD17B10 Q99714 1/20 0.50
POLB P06746 2/20 0.48
ADORA2A P29274 1/20 0.48
ACSL1 P33121 1/20 0.47
ACSL6 Q9UKU0 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL9836869 0.86 LMNA (0.59) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL9837487 0.81 LMNA (0.72) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL9836140 0.80 ALDH1A1 (0.50) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL1247012 0.78 LMNA (0.82) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL9836675 0.78 ALDH1A1 (0.53) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL9338949 0.77 MAOA (0.63) KDM4EALDH1A1GAAMAOAHPGD
SCHEMBL6859087 0.77 MAOA (0.60) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL9836748 0.77 KMT2A (0.57) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL9836782 0.77 KMT2A (0.57) LMNAKDM4EALDH1A1GAAKMT2A
SCHEMBL9837650 0.74 MGAM (0.72) KDM4EALDH1A1GAAMAOAHPGD

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