SCHEMBL11732630

SCHEMBL11732630

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ MTNR1A P48039 5/20 0.38
▸ MTNR1B P49286 5/20 0.38
▸ PPARG P37231 5/20 0.35
▸ PPARA Q07869 5/20 0.35
▸ TSHR P16473 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.31
▸ ALOX5 P09917 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
SCHEMBL11731811 0.93 POLB (0.39) POLBPPARGPPARAMAPK1KDM4E
SCHEMBL11729365 0.92 POLB (0.34) POLBPPARGPPARAKDM4E
SCHEMBL11725992 0.92 ALDH1A1 (0.34) POLBPPARGPPARAKDM4EALDH1A1
SCHEMBL11732066 0.92 PPARG (0.34) POLBPPARGPPARAKDM4ETRPV4
SCHEMBL11730361 0.92 PPARG (0.34) POLBPPARGPPARAKDM4EALDH1A1
SCHEMBL11728265 0.91 PPARG (0.33) POLBMTNR1AMTNR1BPPARGPPARA
SCHEMBL11732689 0.91 PPARG (0.35) POLBPPARGPPARATSHRMAPK1
SCHEMBL11733730 0.86 PPARG (0.33) PPARGPPARAKDM4EALOX5
SCHEMBL11731641 0.85 KDM4E (0.36) POLBTSHRKDM4EALDH1A1LMNA
SCHEMBL11730769 0.85 PPARG (0.35) PPARGPPARA

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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