SCHEMBL9857641

SCHEMBL9857641

CCCCCCCCCCC=Cc1ccccc1C=CCO

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.50
CYSLTR1 Q9Y271 2/20 0.50
SOAT2 O75908 1/20 0.43
SOAT1 P35610 1/20 0.43
TNNC1 P63316 1/20 0.43
EPHX2 P34913 3/20 0.41
FAAH O00519 2/20 0.41
PDE5A O76074 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
OXER1 Q8TDS5 1/20 0.39

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
SCHEMBL9857635 1.00 CYSLTR2 (0.50) CYSLTR2CYSLTR1SOAT2SOAT1TNNC1
SCHEMBL6046925 0.89 CYSLTR2 (0.50) CYSLTR2CYSLTR1SOAT2SOAT1TNNC1
SCHEMBL10482163 0.83 CYSLTR2 (0.48) CYSLTR2CYSLTR1SOAT2SOAT1TNNC1
SCHEMBL10482169 0.83 CYSLTR2 (0.48) CYSLTR2CYSLTR1SOAT2SOAT1TNNC1
SCHEMBL10617350 0.83 CYSLTR2 (0.48) CYSLTR2CYSLTR1SOAT2SOAT1TNNC1
SCHEMBL10383342 0.83 CYSLTR2 (0.48) CYSLTR2CYSLTR1SOAT2SOAT1TNNC1
SCHEMBL489152 0.83 CYSLTR2 (0.47) CYSLTR2CYSLTR1SOAT2SOAT1TNNC1
SCHEMBL1277029 0.83 CYSLTR2 (0.50) CYSLTR2CYSLTR1SOAT2SOAT1EPHX2
SCHEMBL1001648 0.83 CYSLTR2 (0.50) CYSLTR2CYSLTR1SOAT2SOAT1EPHX2
SCHEMBL9857570 0.83 CYSLTR2 (0.50) CYSLTR2CYSLTR1SOAT2SOAT1EPHX2

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
EP-0301401-B1 LEUKOTRIENE ANTAGONISTS, PROCESS FOR THEIR PREPARATION, THEIR USE IN THE TREATMENT OF ILLNESSES HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-27 EP disclosed
US-4851440-A ASTHMA HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
EP-0301401-A2 Leukotriene antagonists, process for their preparation, their use in the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-01 EP disclosed