SCHEMBL11725291

SCHEMBL11725291

COc1ccc(OCC(O)CCCCS(=O)(=O)NCCCCCCC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 3/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ ADRB2 P07550 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ PTGER1 P34995 1/20 0.41
▸ PTGFR P43088 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL11730097 0.90 TBXA2R (0.51) ALDH1A1ADRB2KMT2AL3MBTL1TBXA2R
SCHEMBL11735554 0.90 PTGFR (0.45) ADRB2TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11729918 0.90 LMNA (0.44) TBXAS1ALDH1A1PKMKMT2ATBXA2R
SCHEMBL11852592 0.88 ALDH1A1 (0.42) TBXAS1ALDH1A1ADRB2GAAPKM
SCHEMBL11728921 0.84 ADRB2 (0.46) ALDH1A1ADRB2KMT2ATBXA2RPTGER1
SCHEMBL11735701 0.84 ADRB2 (0.41) ALDH1A1ADRB2L3MBTL1PPARGPPARA
SCHEMBL11850224 0.83 PTGFR (0.57) TBXAS1ALDH1A1GAAPKMKMT2A
SCHEMBL11849657 0.82 TBXA2R (0.44) ALDH1A1ADRB2GAAPKMKMT2A
SCHEMBL11726066 0.82 PTGFR (0.44) ALDH1A1ADRB2GAAL3MBTL1TBXA2R
SCHEMBL11728191 0.82 MEN1 (0.44) ALDH1A1GAAKMT2ATBXA2RPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US claimed
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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