SCHEMBL8979516

SCHEMBL8979516

CN1C(=O)CCc2cc(Sc3cc(F)cc(C4(C)CC(O)CCO4)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.46
TRIM24 O15164 1/20 0.33
CYP11B2 P19099 5/20 0.33
CYP11B1 P15538 4/20 0.33
TRPV1 Q8NER1 5/20 0.32
METAP2 P50579 1/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 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
SCHEMBL8979554 0.82 TRIM24 (0.38) ALOX5TRIM24CYP11B2CYP11B1TRPV1
SCHEMBL8979499 0.79 ALOX5 (0.38) ALOX5CYP11B2CYP11B1TRPV1
SCHEMBL9275052 0.78 ALOX5 (0.58) ALOX5TRIM24CYP11B2CYP11B1METAP2
SCHEMBL8979603 0.77 ALOX5 (0.34) ALOX5CYP11B2CYP11B1TRPV1
SCHEMBL8979613 0.77 ATAD2 (0.40) ALOX5CYP11B2CYP11B1
SCHEMBL8557662 0.77 ALOX5 (0.47) ALOX5TRIM24CYP11B2CYP11B1TRPV1
SCHEMBL8979512 0.76 ALOX5 (0.41) ALOX5TRIM24CYP11B2CYP11B1TRPV1
SCHEMBL9275683 0.76 ALOX5 (0.48) ALOX5TRIM24CYP11B2CYP11B1TRPV1
SCHEMBL8979493 0.76 ALOX5 (0.45) ALOX5
SCHEMBL8979547 0.76 ALOX5 (0.33) ALOX5CYP11B2CYP11B1TRPV1

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