SCHEMBL11735558

SCHEMBL11735558

COc1cccc(OCC(O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ PTGFR P43088 3/20 0.45
▸ TBXA2R P21731 2/20 0.45
▸ PTGER1 P34995 2/20 0.45
▸ PTGER3 P43115 2/20 0.45
▸ PTGER2 P43116 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ MTNR1A P48039 3/20 0.41
▸ MTNR1B P49286 3/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41

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
SCHEMBL11728925 0.90 TBXA2R (0.45) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11725299 0.89 PTGFR (0.43) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL11730106 0.89 TBXA2R (0.53) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11729589 0.89 TBXA2R (0.44) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11850231 0.89 PTGFR (0.58) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11726287 0.89 TBXA2R (0.44) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11728039 0.89 TBXA2R (0.46) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11722951 0.88 TSHR (0.46) TSHRMAPK1KDM4EALDH1A1BCHE
SCHEMBL11725189 0.88 TBXA2R (0.44) PTGFRTBXA2RPTGER1PTGER3PTGER2
Water SCHEMBL11730258 0.88 PTGFR (0.57) PTGFRTBXA2RPTGER1PTGER3PTGER2

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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