SCHEMBL11728316

SCHEMBL11728316

O=C(O)CCCCCCNS(=O)(=O)CCCCC(O)CSc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 5/20 0.51
▸ PTGER1 P34995 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ PTGER2 P43116 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ FABP4 P15090 3/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ PKLR P30613 1/20 0.38

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
SCHEMBL11728371 0.90 LMNA (0.44) PTGFRPTGER1ALDH1A1TBXA2RPTGER2
SCHEMBL11728838 0.87 ALDH1A1 (0.42) PTGFRPTGER1ALDH1A1
SCHEMBL11730097 0.80 TBXA2R (0.51) PTGFRPTGER1ALDH1A1TBXA2RPTGER2
SCHEMBL11729890 0.78 ALDH1A1 (0.45) ALDH1A1TBXA2RLMNATHRBL3MBTL1
Water SCHEMBL11728791 0.78 ALDH1A1 (0.44) ALDH1A1TBXA2RLMNATHRBL3MBTL1
SCHEMBL11734582 0.77 FFAR4 (0.46) ALDH1A1FABP4
SCHEMBL11728423 0.77 FAAH (0.39) ALDH1A1L3MBTL1
SCHEMBL11601260 0.76 FFAR4 (0.65) PTGFRALDH1A1TBXA2RPTGER2FABP4
SCHEMBL11602007 0.76 FFAR4 (0.65) PTGFRALDH1A1TBXA2RPTGER2FABP4
SCHEMBL11733330 0.76 CYP1A2 (0.47) PTGFRPTGER1ALDH1A1TBXA2RPTGER2

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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