SCHEMBL8979508

SCHEMBL8979508

CC1OCCC(O)C1c1cc(F)cc(Sc2ccc3c(c2)CCC(=O)N3C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.46
TRIM24 O15164 2/20 0.34
CYP11B2 P19099 5/20 0.33
CYP11B1 P15538 5/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
TRPV1 Q8NER1 3/20 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
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP19A1 P11511 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
SCHEMBL8979548 0.82 TRIM24 (0.39) ALOX5TRIM24CYP11B2CYP11B1PDE3B
SCHEMBL8979497 0.79 ALOX5 (0.36) ALOX5CYP11B2CYP11B1TRPV1
SCHEMBL8979610 0.77 ATAD2 (0.43) ALOX5CYP11B2CYP11B1CYP1A2
SCHEMBL8979601 0.76 CYP11B1 (0.33) ALOX5CYP11B2CYP11B1
SCHEMBL8979542 0.76 TRPV1 (0.36) ALOX5CYP11B2CYP11B1TRPV1
SCHEMBL8979482 0.74 ALOX5 (0.34) ALOX5TRIM24CYP11B2CYP11B1
SCHEMBL8979489 0.74 ALOX5 (0.35) ALOX5
SCHEMBL8979552 0.74 ATAD2 (0.32) ALOX5
SCHEMBL8979516 0.73 ALOX5 (0.46) ALOX5TRIM24CYP11B2CYP11B1TRPV1
SCHEMBL8557662 0.73 ALOX5 (0.47) ALOX5TRIM24CYP11B2CYP11B1PDE3B

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