SCHEMBL11732689

SCHEMBL11732689

CCc1cccc(OCC(CCCN(CC#CCCCC(=O)OC)S(C)(=O)=O)OC(C)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.35
▸ PPARA Q07869 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ EPOR P19235 1/20 0.32

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) PPARGPPARAMAPK1L3MBTL1TSHR
SCHEMBL11731811 0.90 POLB (0.39) PPARGPPARAMAPK1KDM4EALDH1A1
SCHEMBL11730361 0.90 PPARG (0.34) PPARGPPARACA12CA1CA2
SCHEMBL11725992 0.90 ALDH1A1 (0.34) PPARGPPARAKDM4EALDH1A1POLB
SCHEMBL11732066 0.90 PPARG (0.34) PPARGPPARAKDM4EPOLB
SCHEMBL11729365 0.90 POLB (0.34) PPARGPPARAKDM4EPOLB
SCHEMBL11728265 0.89 PPARG (0.33) PPARGPPARAPOLB
SCHEMBL11732679 0.85 MAPK1 (0.38) PPARGPPARAMAPK1L3MBTL1TSHR
SCHEMBL11733730 0.84 PPARG (0.33) PPARGPPARACA12CA2CA9
SCHEMBL11731641 0.83 KDM4E (0.36) TSHRKDM4EALDH1A1POLB

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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