SCHEMBL11279778

SCHEMBL11279778

CC(=O)Oc1ccc(C(=O)N(C)C(=O)NC(C(=O)O)c2ccccc2)cc1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TOP1 P11387 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.39
▸ PKM P14618 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CCR5 P51681 1/20 0.35
▸ LTB4R Q15722 2/20 0.35
▸ LTB4R2 Q9NPC1 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL10817270 0.92 TSHR (0.48) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL11274306 0.91 TSHR (0.45) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL11456692 0.89 TOP1 (0.46) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL11458211 0.88 TSHR (0.44) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL10816879 0.87 TSHR (0.43) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL10437840 0.83 TOP1 (0.59) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL11686530 0.80 CA1 (0.43) TSHRKDM4EALDH1A1CA1CA2
SCHEMBL11271511 0.80 CA1 (0.43) TSHRRAB9AKDM4EALDH1A1GAA
SCHEMBL11685522 0.78 LMNA (0.45) RAB9AKDM4EALDH1A1CA1CA2
SCHEMBL11685412 0.77 CA1 (0.39) TSHRALDH1A1CA1CA2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4341776-A BACTERICIDES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1982-07-27 — — US disclosed
US-4328224-A ANTIBIOTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1982-05-04 — — US disclosed
US-4301161-A BACTERICIDES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1981-11-17 — — US disclosed
US-4298605-A ANTIBIOTICS, BACTERICIDES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1981-11-03 — — US disclosed
US-4229348-A Penicillanic acid derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1980-10-21 — — US disclosed
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