SCHEMBL11729918

SCHEMBL11729918

O=C(O)CCCCCCNS(=O)(=O)CCCCC(O)COc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ TBXA2R P21731 6/20 0.41
▸ PTGER1 P34995 2/20 0.41
▸ PTGFR P43088 2/20 0.41
▸ PTGER3 P43115 2/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ PTGER2 P43116 1/20 0.38
▸ LTA4H P09960 2/20 0.37
▸ PLA2G4B P0C869 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FABP4 P15090 1/20 0.36
▸ TBXAS1 P24557 1/20 0.36
▸ PKM P14618 1/20 0.36

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) LMNATBXA2RPTGER1PTGFRPTGER3
SCHEMBL11735701 0.90 ADRB2 (0.41) ALDH1A1
SCHEMBL11725291 0.90 TBXAS1 (0.43) TBXA2RPTGER1PTGFRPTGER3PTGDR
SCHEMBL11726046 0.87 FAAH (0.40) LTA4H
SCHEMBL11728048 0.87 TBXA2R (0.40) LMNATBXA2RPLA2G4BMEN1KMT2A
SCHEMBL11733725 0.86 TBXA2R (0.39) LMNATBXA2RPTGER1PTGFRPTGER3
SCHEMBL11731240 0.86 ALDH1A1 (0.43) LMNATBXA2RPTGER1PTGFRPTGER3
SCHEMBL11727609 0.86 LTA4H (0.38) LMNATBXA2RPTGER1PTGFRPTGER3
SCHEMBL11730072 0.85 LMNA (0.42) LMNATBXA2RALDH1A1LTA4HFABP4
SCHEMBL11850224 0.83 PTGFR (0.57) TBXA2RPTGER1PTGFRPTGER3PTGDR

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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