SCHEMBL20628871

SCHEMBL20628871

COCC(=O)c1ccc2c(cnn2Cc2cc(OCC(F)F)ccc2OCC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FOS P01100 2/20 0.37
▸ JUN P05412 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PTGER1 P34995 7/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PLA2G4A P47712 1/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL15057921 0.90 FOS (0.38) FOSJUNALDH1A1MAPTPKM
SCHEMBL15057589 0.90 PLA2G4A (0.42) FOSJUNALDH1A1MAPTPKM
SCHEMBL20629090 0.85 FOS (0.37) FOSJUNALDH1A1MAPTPKM
SCHEMBL15057507 0.82 EPHX2 (0.38) FOSJUNALDH1A1MAPTPKM
SCHEMBL15057775 0.81 PLA2G4A (0.43) FOSJUNALDH1A1MAPTPKM
SCHEMBL15057193 0.81 RECQL (0.40) FOSJUNPTGER1
SCHEMBL20629004 0.80 PLA2G4A (0.42) FOSJUNALDH1A1MAPTPKM
SCHEMBL15057366 0.79 EPHX2 (0.41) ALDH1A1MAPTPKMTSHRHTT
SCHEMBL15057237 0.78 RORC (0.42) FOSJUNALDH1A1MAPTPKM
SCHEMBL20628806 0.78 ALDH1A1 (0.40) ALDH1A1MAPTPKMTSHRHTT

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
EP-3424904-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE Allergan, Inc. (US) 2019-01-09 — — EP disclosed
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