SCHEMBL11850224

SCHEMBL11850224

O=C(O)CCCCCCNS(=O)(=O)CCCCC(O)COc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 7/20 0.57
▸ TBXA2R P21731 4/20 0.57
▸ PTGER1 P34995 3/20 0.57
▸ PTGER3 P43115 3/20 0.57
▸ PTGER2 P43116 2/20 0.57
▸ FABP4 P15090 2/20 0.42
▸ PTGDR Q13258 1/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TBXAS1 P24557 2/20 0.39

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
Water SCHEMBL11730250 0.99 PTGFR (0.56) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11730097 0.90 TBXA2R (0.51) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11726284 0.89 TBXA2R (0.45) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11728034 0.89 TBXA2R (0.47) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11728921 0.89 ADRB2 (0.46) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11735554 0.89 PTGFR (0.45) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11730159 0.88 TBXA2R (0.45) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11849657 0.88 TBXA2R (0.44) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11726066 0.88 PTGFR (0.44) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11728191 0.88 MEN1 (0.44) 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 1 patent. 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
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