SCHEMBL11733725

SCHEMBL11733725

O=C(O)CCCCCCNS(=O)(=O)CCCCC(O)COc1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ FABP4 P15090 2/20 0.39
▸ PTGER1 P34995 2/20 0.37
▸ PTGFR P43088 2/20 0.37
▸ PTGER3 P43115 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ PTGER2 P43116 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTGDR Q13258 1/20 0.37
▸ CTSB P07858 1/20 0.35
▸ TBXAS1 P24557 1/20 0.35
▸ ADRB1 P08588 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL11731240 0.92 ALDH1A1 (0.43) TBXA2RALDH1A1FABP4PTGER1PTGFR
SCHEMBL11732372 0.88 FAAH (0.36) —
SCHEMBL11732610 0.87 GRM2 (0.34) TBXA2RALDH1A1PTGER1PTGFRPTGER3
SCHEMBL11729918 0.86 LMNA (0.44) TBXA2RALDH1A1FABP4PTGER1PTGFR
SCHEMBL11730097 0.85 TBXA2R (0.51) TBXA2RALDH1A1FABP4PTGER1PTGFR
SCHEMBL11733330 0.84 CYP1A2 (0.47) TBXA2RALDH1A1FABP4PTGER1PTGFR
SCHEMBL11850224 0.82 PTGFR (0.57) TBXA2RALDH1A1FABP4PTGER1PTGFR
SCHEMBL11735554 0.81 PTGFR (0.45) TBXA2RPTGER1PTGFRPTGER3LMNA
SCHEMBL11726284 0.81 TBXA2R (0.45) TBXA2RALDH1A1FABP4PTGER1PTGFR
Water SCHEMBL11730250 0.81 PTGFR (0.56) TBXA2RALDH1A1FABP4PTGER1PTGFR

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
Send feedback