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SCHEMBL6818974

SCHEMBL6818974

CC1=C2OC(C(=O)NCc3ccccc3)=CN2C(=O)C(Cc2ccc(F)c(F)c2)C1=O.CC1=C2SC(C(=O)NCc3ccccc3)=CN2C(=O)C(Cc2ccc(F)c(F)c2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 14/20 0.35
▸ PTGER4 P35408 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 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
SCHEMBL6477069 0.91 S1PR3 (0.39) S1PR3PTGER4KDM4EMAPK1RAB9A
SCHEMBL7064689 0.83 KLKB1 (0.41) S1PR3
SCHEMBL6484477 0.79 HCAR3 (0.32) PTGER4
SCHEMBL6477108 0.76 PTGER4 (0.39) S1PR3PTGER4PPARGHTT
SCHEMBL6484455 0.75 PTGER4 (0.38) S1PR3PTGER4KDM4EMAPK1RAB9A
SCHEMBL6476008 0.70 FFAR1 (0.34) —
SCHEMBL6477114 0.70 FFAR1 (0.34) —
SCHEMBL7063737 0.70 KLKB1 (0.39) S1PR3
SCHEMBL6477071 0.69 PTGER4 (0.38) S1PR3PTGER4PPARGHTT
SCHEMBL6289363 0.67 KDM4E (0.43) S1PR3PTGER4KDM4EMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 — — WO claimed