SCHEMBL20628884

SCHEMBL20628884

CCC(CC)COc1ccc(OC(F)(F)P)cc1Cn1cc(C)c2cc(C(=O)O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 2/20 0.37
▸ THRA P10827 5/20 0.36
▸ THRB P10828 5/20 0.36
▸ PPARD Q03181 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PLA2G2D Q9UNK4 1/20 0.35
▸ PLA2G4A P47712 3/20 0.35
▸ PTGER1 P34995 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPT P10636 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
SCHEMBL15076272 0.93 ELANE (0.38) SLC22A12THRATHRBPPARDPPARG
SCHEMBL15076260 0.84 THRA (0.40) SLC22A12THRATHRBPPARDPPARG
SCHEMBL15057987 0.71 ALKBH1 (0.39) PPARDPPARGTP53
SCHEMBL15076194 0.70 SERPINE1 (0.44) PPARDPPARGPLA2G4AMAPT
SCHEMBL15076186 0.70 PTGER1 (0.43) SLC22A12PPARDPTGER1
SCHEMBL15076284 0.69 PPARG (0.44) PPARGPLA2G4A
SCHEMBL15057327 0.69 PTGER1 (0.45) PPARGPLA2G4APTGER1
SCHEMBL26581180 0.69 SLC22A12 (0.53) SLC22A12THRBPPARGMAPT
SCHEMBL15076242 0.68 RORC (0.45) SLC22A12PPARGPTGER1MAPT
SCHEMBL15076270 0.68 NR1H4 (0.42) PPARDPPARGPLA2G4APTGER1

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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