SCHEMBL9834665

SCHEMBL9834665

CCCCCCCCCCCCC/C=C/c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.47
CYSLTR1 Q9Y271 2/20 0.47
HSD11B1 P28845 1/20 0.41
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40
RECQL P46063 1/20 0.39
FAAH O00519 4/20 0.38
EPHX2 P34913 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TNNC1 P63316 1/20 0.37
OXER1 Q8TDS5 1/20 0.36
CHRNA7 P36544 1/20 0.36
MGLL Q99685 1/20 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
SCHEMBL10520046 1.00 CYSLTR2 (0.47) CYSLTR2CYSLTR1HSD11B1SOAT2SOAT1
SCHEMBL8496306 1.00 CYSLTR2 (0.47) CYSLTR2CYSLTR1HSD11B1SOAT2SOAT1
SCHEMBL10651318 1.00 CYSLTR2 (0.47) CYSLTR2CYSLTR1HSD11B1SOAT2SOAT1
SCHEMBL9559868 1.00 CYSLTR2 (0.47) CYSLTR2CYSLTR1HSD11B1SOAT2SOAT1
SCHEMBL8496315 1.00 CYSLTR2 (0.47) CYSLTR2CYSLTR1HSD11B1SOAT2SOAT1
SCHEMBL10383726 1.00 CYSLTR2 (0.47) CYSLTR2CYSLTR1HSD11B1SOAT2SOAT1
SCHEMBL10383727 1.00 CYSLTR2 (0.47) CYSLTR2CYSLTR1HSD11B1SOAT2SOAT1
SCHEMBL9559869 1.00 CYSLTR2 (0.47) CYSLTR2CYSLTR1HSD11B1SOAT2SOAT1
SCHEMBL10651322 1.00 CYSLTR2 (0.47) CYSLTR2CYSLTR1HSD11B1SOAT2SOAT1
SCHEMBL18260191 0.85 HSD11B1 (0.46) CYSLTR2CYSLTR1HSD11B1CHRNA7

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-0225602-B1 ALPHA-HYDROXYTHIO ETHERS CIBA-GEIGY AG (CH) 1991-10-09 EP disclosed
US-4808572-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1989-02-28 US disclosed
EP-0225602-A2 Alpha-hydroxythio ethers CIBA-GEIGY AG (CH) 1987-06-16 EP disclosed