Sugi Predict

Sugi Predict / Compounds / SCHEMBL8979546

SCHEMBL8979546

SCHEMBL8979546

CN1C(=O)CCc2cc(SC3C(O)CCOC3(C)c3ccccc3)c(F)cc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.34
▸ TRPV1 Q8NER1 12/20 0.34
▸ CYP11B1 P15538 4/20 0.33
▸ CYP11B2 P19099 3/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33

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 0.73 ALOX5 (0.38) TRPV1CYP11B1CYP11B2ALOX5
SCHEMBL8979486 0.69 ALOX5 (0.47) TRPV1CYP11B1CYP11B2ALOX5CHRM1
SCHEMBL8979497 0.67 ALOX5 (0.36) TRPV1CYP11B1CYP11B2ALOX5
SCHEMBL8979495 0.66 TRIM24 (0.35) TRIM24TRPV1CYP11B1CYP11B2
SCHEMBL8979505 0.66 ALOX5 (0.50) CYP11B1CYP11B2ALOX5
SCHEMBL2109679 0.64 ALOX5 (0.37) TRPV1ALOX5
SCHEMBL8979482 0.64 ALOX5 (0.34) TRIM24CYP11B1CYP11B2ALOX5
SCHEMBL8979500 0.63 ALOX5 (0.38) CYP11B1CYP11B2ALOX5
SCHEMBL14778934 0.61 CYP11B1 (0.35) TRPV1CYP11B1CYP11B2ALOX5CYP19A1
SCHEMBL31260072 0.61 CYP11B1 (0.35) TRPV1CYP11B1CYP11B2ALOX5CYP19A1

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