SCHEMBL11731250

SCHEMBL11731250

CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(O)COc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PTGER1 P34995 2/20 0.39
▸ PTGFR P43088 2/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ABCB1 P08183 2/20 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
SCHEMBL11733734 0.92 TBXA2R (0.38) KDM4EPTGER1PTGFRTBXA2RPTGER3
SCHEMBL11728728 0.88 ALDH1A1 (0.40) KDM4EKMT2AALDH1A1
SCHEMBL11733336 0.88 CYP1A2 (0.48) KMT2APTGER1PTGFRTBXA2RPTGER3
SCHEMBL11730106 0.86 TBXA2R (0.53) PTGER1PTGFRTBXA2RPTGER3PTGDR
SCHEMBL11729925 0.85 LTA4H (0.43) KDM4EPTGER1PTGFRTBXA2RPTGER3
SCHEMBL11732380 0.81 GRM2 (0.38) KMT2AALDH1A1
SCHEMBL11729979 0.80 RAB9A (0.44) ALDH1A1PTGER1PTGFRTBXA2RPTGER3
SCHEMBL11729893 0.80 CA1 (0.44) —
SCHEMBL11658754 0.80 KDM4E (0.42) KDM4EKMT2AALDH1A1PTGER1PTGFR
SCHEMBL11725299 0.80 PTGFR (0.43) ALDH1A1PTGER1PTGFRTBXA2RPTGER3

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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