SCHEMBL9458786

SCHEMBL9458786

O=C(O)C(O)C(Nc1cccc(O)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ LMNA P02545 4/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ KYNU Q16719 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MAPK1 P28482 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ ALOX15 P16050 2/20 0.41

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
SCHEMBL9458623 0.98 CYP3A4 (0.49) CYP3A4TSHRLMNAHIF1AKDM4E
SCHEMBL9458607 0.88 CYP3A4 (0.44) CYP3A4TSHRLMNAHIF1AKDM4E
SCHEMBL27573296 0.85 LMNA (0.47) CYP3A4TSHRLMNAALDH1A1MAPK1
SCHEMBL7574163 0.80 CYP3A4 (0.55) CYP3A4TSHRLMNAHIF1AKDM4E
SCHEMBL27979451 0.75 ALDH1A1 (0.50) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL11434065 0.72 CYP3A4 (0.53) CYP3A4TSHRKDM4EALDH1A1CYP1A2
SCHEMBL5328095 0.72 CYP3A4 (0.53) CYP3A4TSHRLMNAHIF1AKDM4E
SCHEMBL5328091 0.72 CYP3A4 (0.53) CYP3A4TSHRLMNAHIF1AKDM4E
SCHEMBL5291452 0.72 CYP3A4 (0.53) CYP3A4TSHRLMNAALDH1A1CYP1A2
SCHEMBL190036 0.70 LMNA (0.48) LMNAMAPK1TP53CYP2D6

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
US-5234932-A Bronchodilators, antiallergens, antiinflammatory agents LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1993-08-10 — — US disclosed
EP-0489831-A1 Substituted quinolines, their preparation and their use as lipoxygenase inhibitors and/or leukotriene antagonists LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1992-06-17 — — EP disclosed
WO-1991003466-A1 SUBSTITUTED QUINOLINES LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1991-03-21 — — WO disclosed
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