SCHEMBL20628870

SCHEMBL20628870

CCC(CC)COc1ccc(C)cc1Cn1ncc2cc(C(=O)N=O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ PLA2G4A P47712 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ ERBB2 P04626 2/20 0.33
▸ PTGER1 P34995 7/20 0.33
▸ THRB P10828 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL20629079 0.90 PLA2G4A (0.42) HDAC2MAPK1MAPK10PLA2G4AMAPT
SCHEMBL15058053 0.80 PTGER1 (0.43) PLA2G4AKMOPTGER1
SCHEMBL15076241 0.80 PLA2G4A (0.41) PLA2G4APTGER1
SCHEMBL20629009 0.79 ALDH1A1 (0.39) ALDH1A1MAPTPKMTSHRHTT
SCHEMBL15058170 0.78 NLRP3 (0.44) PTGER1MAOAMAOB
SCHEMBL15076262 0.78 KDM4E (0.36) HDAC2MAPTTSHREGFRERBB2
SCHEMBL20629015 0.78 PTGER1 (0.36) PTGER1
SCHEMBL20629080 0.74 MAPT (0.49) HDAC2MAPTTSHRMAOAMAOB
SCHEMBL15057888 0.72 KMO (0.45) PLA2G4AKMOPTGER1
SCHEMBL20628797 0.72 KDM2B (0.42) HDAC2PLA2G4APTGER1L3MBTL1

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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