SCHEMBL20629016

SCHEMBL20629016

CCCC(CC)COc1ccc(Br)cc1Cn1ccc2cc(C(=O)O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 2/20 0.42
▸ PPARG P37231 13/20 0.41
▸ PPARA Q07869 2/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ PPARD Q03181 1/20 0.36

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
SCHEMBL15076284 0.94 PPARG (0.44) PLA2G4APPARGPPARANR1H2NR1H3
SCHEMBL15076270 0.88 NR1H4 (0.42) PLA2G4APPARGPPARAHDAC8HDAC6
SCHEMBL15076216 0.87 PTGER1 (0.46) PLA2G4APPARGHDAC8HDAC6HDAC3
SCHEMBL15057327 0.83 PTGER1 (0.45) PLA2G4APPARGHDAC8HDAC6HDAC3
SCHEMBL15057113 0.80 PTGER1 (0.38) —
SCHEMBL15076247 0.79 PPARG (0.47) PLA2G4APPARG
SCHEMBL15076267 0.79 PPARG (0.41) PPARGPPARA
SCHEMBL20603549 0.78 PLA2G4A (0.50) PLA2G4APPARGPPARAHDAC8HDAC6
SCHEMBL15076241 0.78 PLA2G4A (0.41) PLA2G4A
SCHEMBL20628900 0.76 PTGER1 (0.37) HDAC8HDAC6HDAC3HDAC1HDAC2

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
Send feedback