SCHEMBL8979550

SCHEMBL8979550

CN1C(=O)CCc2cc(S(=O)(=O)c3cccc(C4(C)CC(O)C(F)CO4)c3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 5/20 0.35
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
TRPV1 Q8NER1 8/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALOX5 P09917 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ADAM17 P78536 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
SCHEMBL8979512 0.83 ALOX5 (0.41) TRIM24TRPV1CYP17A1CYP1A2CYP19A1
SCHEMBL8979554 0.77 TRIM24 (0.38) TRIM24TRPV1GABRG2GABRB3GABRA5
SCHEMBL8979495 0.75 TRIM24 (0.35) TRIM24TRPV1CYP11B1CYP11B2
SCHEMBL8979492 0.75 ATAD2 (0.39) LMNACYP1A2CYP11B1CYP11B2ALDH1A1
SCHEMBL2107553 0.73 TRIM24 (0.36) TRIM24LMNAPKMCYP17A1CYP1A2
SCHEMBL9285980 0.72 TRIM24 (0.37) TRIM24LMNAPKMCYP17A1CYP1A2
SCHEMBL9286206 0.72 TRIM24 (0.37) TRIM24LMNAPKMCYP17A1CYP1A2
SCHEMBL9285981 0.72 TRIM24 (0.37) TRIM24LMNAPKMCYP17A1CYP1A2
SCHEMBL9285989 0.72 TRIM24 (0.37) TRIM24LMNAPKMCYP17A1CYP1A2
SCHEMBL8979526 0.72 CYP11B1 (0.32) TRPV1CYP11B1CYP11B2

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