SCHEMBL8556909

SCHEMBL8556909

CC1(C)CC(O)(c2cnc(Cl)s2)CCO1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL9126942 0.78 SMN1; SMN2 (0.35)
SCHEMBL9127661 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8554058 0.72 LMNA (0.35) ALDH1A1GAALMNA
SCHEMBL16430270 0.69 ALDH1A1 (0.56) ALDH1A1TSHRGAA
SCHEMBL8552732 0.68 LMNA (0.44) ALDH1A1GAALMNA
SCHEMBL26685345 0.66 CNR2 (0.34)
SCHEMBL12541847 0.64 L3MBTL1 (0.55) CYP11B2ALDH1A1TSHRKDM4EGAA
SCHEMBL8556571 0.62 CYP11B2 (0.35) CYP11B2ALDH1A1TSHRKDM4EGAA
SCHEMBL9126495 0.62 ALOX5 (0.33)
SCHEMBL13147911 0.61

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 8 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
US-5478843-A Administering as inhibitors of the enzyme 5-lipoxygenase ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1995004055-A1 THIAZOLE DERIVATIVES AS LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1995-02-09 WO disclosed
EP-0636624-A1 Thiazole derivatives as lipoxygenase inhibitors ZENECA LIMITED (GB) 1995-02-01 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