SCHEMBL8745568

SCHEMBL8745568

CCCCCc1ccccc1CC[C]=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.50
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
CYSLTR2 Q9NS75 7/20 0.41

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
SCHEMBL96897 0.86 LIPG (0.43) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL910303 0.86 GABRA1 (0.41) LIPGPPARAPPARG
SCHEMBL910690 0.84 GABRA1 (0.47)
SCHEMBL30037094 0.83 LIPG (0.65) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL82794 0.83 LIPG (0.65) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL1372464 0.81 LIPG (0.59) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL18496530 0.81 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL1343771 0.81 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL10980560 0.81 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL15809821 0.81 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0336230-B1 Cyclic peptide antagonists of Substance P and Substance K FUJISAWA PHARMACEUTICAL CO (JP) 1997-02-12 EP claimed
EP-0498069-B1 New use of peptide derivative FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-25 EP claimed
US-5217952-A Analgesics, antihistamine FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-08 US claimed
EP-0498069-A2 New use of peptide derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-12 EP claimed
EP-0336230-A2 Cyclic peptide antagonists of Substance P and Substance K FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-11 EP claimed
JP-5078254-A None JP disclosed
EP-0336230-B1 Cyclic peptide antagonists of Substance P and Substance K FUJISAWA PHARMACEUTICAL CO (JP) 1997-02-12 EP disclosed
EP-0498069-B1 New use of peptide derivative FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-25 EP disclosed
JP-H0578254-A ANTIINFLAMMATORY AGENT OR REGULATOR FOR MOTILITY OF DIGESTIVE TRACT FUJISAWA PHARMACEUT CO LTD 1993-03-30 JP disclosed
EP-0336230-A2 Cyclic peptide antagonists of Substance P and Substance K FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-11 EP disclosed