SCHEMBL8554978

SCHEMBL8554978

CN1C(=O)CCCc2cc(Sc3cc(C4(O)CC5CCC(C4)O5)cs3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.46
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
TRIM24 O15164 2/20 0.32
CYP11B2 P19099 4/20 0.32
CYP11B1 P15538 3/20 0.32
INSR P06213 2/20 0.31
ALK Q9UM73 2/20 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
SCHEMBL8554039 0.95 ALOX5 (0.51) ALOX5TRIM24CYP11B2CYP11B1
SCHEMBL8552201 0.84 ALOX5 (0.52) ALOX5TRIM24CYP11B2CYP11B1
SCHEMBL8553939 0.79 TRIM24 (0.36) ALOX5BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2109207 0.77 ALOX5 (0.49) ALOX5TRIM24CYP11B2CYP11B1
SCHEMBL8555746 0.74 ALOX5 (0.54) ALOX5TRIM24CYP11B2CYP11B1
SCHEMBL8556621 0.73 ALOX5 (0.50) ALOX5TRIM24CYP11B2CYP11B1
SCHEMBL1445371 0.72 ALOX5 (0.41) ALOX5ACVRL1ACVR1TRIM24
SCHEMBL6454601 0.72 ALOX5 (0.41) ALOX5ACVRL1ACVR1TRIM24
SCHEMBL1445372 0.72 ALOX5 (0.41) ALOX5ACVRL1ACVR1TRIM24
SCHEMBL7607693 0.72 ALOX5 (0.41) ALOX5ACVRL1ACVR1TRIM24

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP disclosed