SCHEMBL9633677

SCHEMBL9633677

COC(=O)c1ccc(Cc2cccc3ccc(/C=C/CCC(=O)N(C)C)cc23)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 4/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NQO2 P16083 1/20 0.38
MTNR1A P48039 2/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BACE1 P56817 2/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34

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
SCHEMBL9633679 1.00 P4HB (0.38) P4HBKMT2AMAPTKDM4EALDH1A1
SCHEMBL9633865 0.85 P4HB (0.41) P4HBKMT2AMAPTKDM4EALDH1A1
SCHEMBL9633855 0.85 P4HB (0.41) P4HBKMT2AMAPTKDM4EALDH1A1
SCHEMBL9633776 0.82 NQO2 (0.44) P4HBKMT2AMAPTKDM4EALDH1A1
SCHEMBL9633818 0.82 NQO2 (0.42) KMT2AMAPTALDH1A1NQO2MTNR1A
SCHEMBL9633707 0.80 KMT2A (0.41) KMT2AMAPTALDH1A1NQO2MTNR1A
SCHEMBL9371759 0.80 CYSLTR2 (0.48) CYSLTR2CYSLTR1
SCHEMBL9371769 0.80 CYSLTR2 (0.48) CYSLTR2CYSLTR1
SCHEMBL9634254 0.78 NQO2 (0.41) P4HBKMT2AMAPTKDM4EALDH1A1
SCHEMBL9634261 0.78 NQO2 (0.41) P4HBKMT2AMAPTKDM4EALDH1A1

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-0337765-B1 ACYLSULFONAMIDE DERIVATIVES OF ALPHA-CARBOCYCLYLTOLUIC ACIDS USED AS LEUKOTRIENE ANTAGONISTS ICI AMERICAS INC. (US) 1992-10-14 EP disclosed
US-5095038-A Antiinflammatory, antiallergens ICI AMERICAS INC. (US) 1992-03-10 US disclosed
EP-0337765-A2 Acylsulfonamide derivatives of alpha-carbocyclyltoluic acids used as leukotriene antagonists ICI AMERICAS INC. (US) 1989-10-18 EP disclosed