SCHEMBL20603549

SCHEMBL20603549

CCCCOc1ccc(Br)cc1Cn1ccc2ccc(C(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 2/20 0.50
▸ MCL1 Q07820 1/20 0.48
▸ PPARG P37231 3/20 0.47
▸ PPARD Q03181 3/20 0.47
▸ PPARA Q07869 3/20 0.47
▸ PLA2G2D Q9UNK4 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL15076270 0.86 NR1H4 (0.42) PLA2G4AMCL1PPARGPPARDPPARA
SCHEMBL14774587 0.83 PTGER1 (0.58) HTTPTGER1
SCHEMBL15076284 0.79 PPARG (0.44) PLA2G4APPARGPPARAHDAC3HDAC1
SCHEMBL15076216 0.78 PTGER1 (0.46) PLA2G4APPARGEPHX2NR1H4HDAC3
SCHEMBL20629016 0.78 PLA2G4A (0.42) PLA2G4APPARGPPARDPPARAEPHX2
SCHEMBL3351795 0.74 MCL1 (0.61) PLA2G4AMCL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL14774570 0.73 PTGER1 (0.56) PPARGPTGER1
SCHEMBL29012864 0.72 MCL1 (0.59) PLA2G4AMCL1
SCHEMBL18783919 0.71 PTGER1 (0.53) LMNAHTTRAB9AALDH1A1PTGER1
SCHEMBL5981752 0.71 MCL1 (0.57) PLA2G4AMCL1EPHX2NR1H4HDAC3

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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