SCHEMBL6934012

SCHEMBL6934012

C=CCc1cc(Oc2ccccc2)ccc1OCCCNc1ccc(CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 6/20 0.44
LMNA P02545 1/20 0.43
SRD5A2 P31213 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL6933731 0.89 MEN1 (0.47) FFAR1MEN1KMT2AKDM4ELMNA
SCHEMBL6936573 0.85 PPARG (0.52) FFAR1PPARA
SCHEMBL6934100 0.85 FFAR1 (0.51) FFAR1PPARA
SCHEMBL6935592 0.84 FFAR1 (0.50) FFAR1SRD5A2FFAR4PPARA
SCHEMBL6936213 0.81 FFAR1 (0.54) FFAR1KDM4ESRD5A2MAPTFFAR4
SCHEMBL6935508 0.77 FFAR1 (0.55) FFAR1FFAR4PPARA
SCHEMBL6935270 0.76 PPARD (0.51) PPARA
SCHEMBL6931620 0.75 PPARD (0.52) PPARA
SCHEMBL6936737 0.74 FFAR1 (0.54) FFAR1PPARA
SCHEMBL5208194 0.74 PPARD (0.55) ALDH1A1PPARA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP claimed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP claimed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed