SCHEMBL8553372

SCHEMBL8553372

C[C@H]1C[C@@](O)(c2cccc(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 13/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 2/20 0.39
PKLR P30613 1/20 0.38

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
SCHEMBL8554600 0.82 KCNH2 (0.40) PKMKCNH2
SCHEMBL2107553 0.81 TRIM24 (0.36) PKMALDH1A1LMNA
SCHEMBL8556514 0.79 ATAD2 (0.39) ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL9276872 0.78 MAPT (0.40) ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9276867 0.78 MAPT (0.40) ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL9272840 0.76 HTR6 (0.32) SMN1; SMN2TP53POLB
SCHEMBL9272836 0.76 HTR6 (0.32) SMN1; SMN2TP53POLB
SCHEMBL9272832 0.76 HTR6 (0.32) SMN1; SMN2TP53POLB
SCHEMBL8552161 0.75 MAP2K1 (0.32)
SCHEMBL8557669 0.73 TRIM24 (0.35)

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