SCHEMBL8979554

SCHEMBL8979554

CN1C(=O)CCc2cc(S(=O)(=O)c3cc(F)cc(C4(C)CC(O)CCO4)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 3/20 0.38
HTR6 P50406 6/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 2/20 0.33
TRPV1 Q8NER1 3/20 0.32
ALOX5 P09917 2/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL8979516 0.82 ALOX5 (0.46) TRIM24GABRG2GABRB3GABRA5CYP11B1
SCHEMBL8979495 0.80 TRIM24 (0.35) TRIM24CYP11B1CYP11B2TRPV1
SCHEMBL9271757 0.78 ALOX5 (0.41) TRIM24GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL8979492 0.78 ATAD2 (0.39) HTR6ALDH1A1GAACYP11B1CYP11B2
SCHEMBL2108075 0.78 TRIM24 (0.36) TRIM24GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL8979550 0.77 TRIM24 (0.35) TRIM24GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL8979526 0.76 CYP11B1 (0.32) CYP11B1CYP11B2TRPV1
SCHEMBL9098383 0.75 ALOX5 (0.51) GABRG2GABRB3GABRA5ALDH1A1GAA
SCHEMBL9098432 0.75 ALOX5 (0.42) TRIM24GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL8979548 0.74 TRIM24 (0.39) TRIM24GABRG2GABRB3GABRA5ALDH1A1

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