SCHEMBL20628653

SCHEMBL20628653

COC(=O)c1ccc2c(cnn2Cc2cc(OCCC(C)(C)C)ccc2OCC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 11/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ ALDH1A1 P00352 1/20 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
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ FOS P01100 1/20 0.35
▸ JUN P05412 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ XDH P47989 1/20 0.34

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 0.87 FOS (0.38) PTGER1EPHX2PPARGALDH1A1MAPT
SCHEMBL15057366 0.87 EPHX2 (0.41) PTGER1EPHX2PPARGALDH1A1MAPT
SCHEMBL15057134 0.87 PTGER1 (0.37) PTGER1EPHX2PPARGALDH1A1MAPT
SCHEMBL15057507 0.86 EPHX2 (0.38) PTGER1EPHX2PPARGALDH1A1MAPT
SCHEMBL15058148 0.84 ALDH1A1 (0.40) PTGER1ALDH1A1MAPTPKMTSHR
SCHEMBL15076167 0.83 PTGER1 (0.52) PTGER1
SCHEMBL15076243 0.83 ALDH1A1 (0.40) PTGER1ALDH1A1MAPTPKMTSHR
SCHEMBL15076250 0.83 PTGER1 (0.41) PTGER1EPHX2PPARGALDH1A1MAPT
SCHEMBL15057111 0.82 MAOA (0.44) EPHX2PPARGTSHRMAOAMAOB
SCHEMBL15057792 0.82 XDH (0.40) EPHX2PPARGMAPTTSHRMAOA

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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