SCHEMBL8979486

SCHEMBL8979486

CN1C(=O)CCc2cc(Sc3cc(C4(C)CC(O)CCO4)cs3)c(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.47
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 3/20 0.33
TRPV1 Q8NER1 10/20 0.32
CHRM1 P11229 1/20 0.31

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
SCHEMBL8979499 0.84 ALOX5 (0.38) ALOX5CYP11B1CYP11B2TRPV1
SCHEMBL8979493 0.83 ALOX5 (0.45) ALOX5
SCHEMBL8979505 0.82 ALOX5 (0.50) ALOX5CYP11B1CYP11B2
SCHEMBL2108127 0.77 ALOX5 (0.39) ALOX5CYP11B1CYP11B2TRPV1
SCHEMBL8979516 0.75 ALOX5 (0.46) ALOX5CYP11B1CYP11B2TRPV1
SCHEMBL8979482 0.74 ALOX5 (0.34) ALOX5CYP11B1CYP11B2
SCHEMBL8979495 0.73 TRIM24 (0.35) CYP11B1CYP11B2TRPV1
SCHEMBL8979554 0.71 TRIM24 (0.38) ALOX5CYP11B1CYP11B2TRPV1
SCHEMBL8979546 0.69 TRIM24 (0.34) ALOX5CYP11B1CYP11B2TRPV1CHRM1
SCHEMBL8979547 0.69 ALOX5 (0.33) ALOX5CYP11B1CYP11B2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed