SCHEMBL8979548

SCHEMBL8979548

CC1OCCC(O)C1c1cc(F)cc(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 4/20 0.39
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ALOX5 P09917 2/20 0.32
TRPV1 Q8NER1 2/20 0.32
METAP2 P50579 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
SCHEMBL8979508 0.82 ALOX5 (0.46) TRIM24GABRG2GABRB3GABRA5CYP11B1
SCHEMBL8979491 0.80 TRIM24 (0.36) TRIM24CYP11B1CYP11B2TRPV1
SCHEMBL8979490 0.78 ATAD2 (0.42) ALDH1A1GAACYP11B1CYP11B2
SCHEMBL8979522 0.77 TRPV1 (0.36) TRIM24CYP11B1CYP11B2TRPV1
SCHEMBL2108075 0.74 TRIM24 (0.36) TRIM24ALDH1A1GAAGABRG2GABRB3
SCHEMBL8979554 0.74 TRIM24 (0.38) TRIM24ALDH1A1GAAGABRG2GABRB3
SCHEMBL9271757 0.72 ALOX5 (0.41) TRIM24ALDH1A1GAAGABRG2GABRB3
SCHEMBL9098383 0.71 ALOX5 (0.51) ALDH1A1GAAGABRG2GABRB3GABRA5
SCHEMBL8979482 0.71 ALOX5 (0.34) TRIM24CYP11B1CYP11B2ALOX5
SCHEMBL9098432 0.71 ALOX5 (0.42) TRIM24ALDH1A1GAAGABRG2GABRB3

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