SCHEMBL8553135

SCHEMBL8553135

CN1C(=O)CCCc2cc(I)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.46
BMPR1A P36894 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46
CYP11B2 P19099 8/20 0.44
CYP11B1 P15538 6/20 0.44
CASP3 P42574 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
SRD5A1 P18405 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TRIM24 O15164 2/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL8554279 0.90 CYP11B2 (0.51) CYP11B2CYP11B1CASP3CYP1A2CYP17A1
SCHEMBL10177054 0.81 ALDH1A1 (0.51) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL16506973 0.81 TRIM24 (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL19224681 0.80 BMPR1B (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL19980481 0.80 MAOA (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL520474 0.80 ATAD2 (0.53) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30832131 0.80 BMPR1B (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL23051012 0.78 TP53 (0.50) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL14849273 0.78 BMPR1B (0.50) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL12059735 0.78 LMNA (0.56) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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 5 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
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US 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