SCHEMBL9380924

SCHEMBL9380924

COC1(c2cccc(Sc3ccc(NC(C)=O)cc3)c2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9381713 0.86 LMNA (0.38) ALOX5MAPTRAB9ANPC1LMNA
SCHEMBL9380088 0.85 ALOX5 (0.40) ALOX5
SCHEMBL9049501 0.85 HPGD (0.47) ALOX5MAPTRAB9ANPC1CYP2C9
SCHEMBL9251380 0.85 ALOX5 (0.42) ALOX5
SCHEMBL9380927 0.83 ALOX5 (0.63) ALOX5
SCHEMBL7892149 0.82 ALOX5 (0.42) ALOX5MTNR1AMTNR1BMAPTRAB9A
SCHEMBL9440209 0.81 ALOX5 (0.43) ALOX5MAPTNPSR1
SCHEMBL9268618 0.81 ALOX5 (0.42) ALOX5
SCHEMBL9384495 0.80 ALOX5 (0.44) ALOX5
SCHEMBL9440429 0.80 ALOX5 (0.44) ALOX5

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-0409413-B1 Diaryl ether heterocycles ICI PLC (GB) 1994-08-03 EP disclosed
US-5208259-A Lipoxygenase enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES (GB) 1993-05-04 US disclosed
EP-0409413-A2 Diaryl ether heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP disclosed