SCHEMBL11725992

SCHEMBL11725992

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PPARG P37231 4/20 0.34
▸ PPARA Q07869 4/20 0.34
▸ KDM4E B2RXH2 6/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ RAB9A P51151 1/20 0.30

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 0.92 POLB (0.40) ALDH1A1PPARGPPARAKDM4ELMNA
SCHEMBL11731811 0.91 POLB (0.39) ALDH1A1KMT2AMAPTPPARGPPARA
SCHEMBL11730361 0.90 PPARG (0.34) ALDH1A1PPARGPPARAKDM4EPOLB
SCHEMBL11732066 0.90 PPARG (0.34) PPARGPPARAKDM4EPOLB
SCHEMBL11729365 0.90 POLB (0.34) MAPTPPARGPPARAKDM4EPOLB
SCHEMBL11732689 0.90 PPARG (0.35) ALDH1A1PPARGPPARAKDM4EPOLB
SCHEMBL11728265 0.90 PPARG (0.33) PPARGPPARAPOLB
SCHEMBL11733730 0.85 PPARG (0.33) KMT2AMAPTPPARGPPARAKDM4E
SCHEMBL11725985 0.84 PPARG (0.35) ALDH1A1KMT2AMAPTPPARGPPARA
SCHEMBL11731641 0.84 KDM4E (0.36) ALDH1A1KMT2AMAPTKDM4ELMNA

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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