SCHEMBL9258376

SCHEMBL9258376

COC1CCOC(c2cc(F)cc(OCc3ccc4c(-c5ccsc5)cc(=O)oc4c3)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.45
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 3/20 0.37
AR P10275 2/20 0.35
ACHE P22303 2/20 0.34
BCHE P06276 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAOA P21397 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
SCHEMBL9259265 0.91 ALOX5 (0.37) ALOX5KDM4EMAOBARACHE
SCHEMBL9263283 0.90 ALOX5 (0.47) ALOX5KDM4ESMN1; SMN2MAOBAR
SCHEMBL9258559 0.85 MAOB (0.48) MAOBARMAOA
SCHEMBL9264414 0.80 ALOX5 (0.57) ALOX5KDM4ESMN1; SMN2MAOBALDH1A1
SCHEMBL9263552 0.77 MAOB (0.47) MAOBARMAOA
SCHEMBL9268130 0.77 MAOB (0.46) MAOBARMAOA
SCHEMBL9270438 0.76 MAOB (0.41) KDM4ESMN1; SMN2MAOBALDH1A1HPGD
SCHEMBL9269565 0.75 MAOB (0.49) ALOX5SMN1; SMN2MAOBARALDH1A1
SCHEMBL9254545 0.75 MAOB (0.61) SMN1; SMN2MAOBARALDH1A1HPGD
SCHEMBL9267747 0.72 MAOB (0.48) ALOX5MAOBARMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5424320-A Antihistamine, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1995-06-13 US disclosed
US-5360815-A Heteroaryl cinnamic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-11-01 US disclosed