SCHEMBL11247457

SCHEMBL11247457

O=C(OCC(Cl)(Cl)Cl)Oc1cc2occ(C(=O)NC(C(=O)O)c3ccc(O)cc3)c(=O)c2cc1OC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 15/20 0.39
▸ MAOA P21397 4/20 0.37
▸ ADORA2B P29275 1/20 0.35
▸ TACR3 P29371 2/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ ALDH2 P05091 1/20 0.32

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
SCHEMBL11281619 0.88 MAOB (0.42) MAOBMAOAADORA2BTACR3KMT2A
SCHEMBL11249099 0.81 KDM4E (0.40) MAOBMAOAKMT2AALDH2
SCHEMBL11287124 0.81 MAOB (0.43) MAOBADORA2BTACR3KMT2A
SCHEMBL8311797 0.79 MAOB (0.49) MAOBMAOAADORA2B
SCHEMBL10964606 0.79 MAOB (0.42) MAOBMAOAKMT2A
SCHEMBL10962062 0.77 KMT2A (0.34) MAOBMAOAKMT2A
Phenylglycine SCHEMBL11247409 0.77 KMT2A (0.40) MAOBADORA2BTACR3KMT2A
SCHEMBL11360922 0.75 MAOB (0.43) MAOBMAOAADORA2BTACR3KMT2A
SCHEMBL10964135 0.71 PTPN1 (0.47) MAOBMAOAKMT2A
SCHEMBL8122069 0.70 MAOB (0.48) MAOBMAOAADORA2BTACR3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0054578-A1 N-(substituted chromone-3-carbonyl)-phenylglycine derivatives Eisai Co., Ltd. (JP) 1982-06-30 — — EP disclosed
US-4331606-A BACTERICIDES, CEPHALOSPORIN INTERMEDIATES EISAI CO., LTD. (JP) 1982-05-25 — — US disclosed
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