SCHEMBL11728265

SCHEMBL11728265

COC(=O)CCCC#CCN(CCCC(COc1cccc(N(C)C)c1)OC(C)=O)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.33
▸ PPARA Q07869 3/20 0.33
▸ MTNR1A P48039 10/20 0.33
▸ MTNR1B P49286 10/20 0.33
▸ ADAMTS4 O75173 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ FAAH O00519 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
SCHEMBL11732630 0.91 POLB (0.40) PPARGPPARAMTNR1AMTNR1BPOLB
SCHEMBL11731811 0.90 POLB (0.39) PPARGPPARAPOLB
SCHEMBL11732066 0.90 PPARG (0.34) PPARGPPARAADAMTS4POLB
SCHEMBL11729365 0.90 POLB (0.34) PPARGPPARAPOLB
SCHEMBL11730361 0.90 PPARG (0.34) PPARGPPARAPOLB
SCHEMBL11725992 0.90 ALDH1A1 (0.34) PPARGPPARAPOLB
SCHEMBL11732689 0.89 PPARG (0.35) PPARGPPARAPOLB
SCHEMBL11728261 0.85 PPARG (0.34) PPARGPPARAMTNR1AMTNR1BADAMTS4
SCHEMBL11733730 0.84 PPARG (0.33) PPARGPPARA
SCHEMBL11731641 0.83 KDM4E (0.36) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4055596-A PHARMACEUTICALS MERCK & CO., INC. (US) 1977-10-25 — — US disclosed
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US disclosed
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