SCHEMBL9049060

SCHEMBL9049060

CC1(c2ccc(Sc3cc(Br)cs3)cc2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.41
TSHR P16473 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9048284 0.76 ALOX5 (0.41) ALOX5
SCHEMBL9178548 0.74 SMN1; SMN2 (0.37) TSHRMAOAMAOBLMNAMEN1
SCHEMBL9047594 0.74 ALOX5 (0.31) ALOX5TSHR
SCHEMBL587682 0.73 TAAR1 (0.42) TSHRLMNAMEN1PABPC1KMT2A
SCHEMBL7378002 0.71 TSHR (0.37) TSHRLMNAMEN1PABPC1KMT2A
Magnesium SCHEMBL9306977 0.71 TAAR1 (0.41) TSHRLMNAMEN1PABPC1KMT2A
SCHEMBL9272812 0.71 ALOX5 (0.37) ALOX5
SCHEMBL24742132 0.70 SLC6A4 (0.39) TSHRLMNAMEN1PABPC1KMT2A
SCHEMBL1167218 0.70 BACE1 (0.41) TSHR
SCHEMBL9049398 0.70 FBP1 (0.41) ALOX5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555068-B1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1996-04-10 EP disclosed
US-5482966-A LIPOXYGENASE ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1996-01-09 US disclosed
US-5420298-A Antiinflammatory agents by inhibition of leukotrienes ZENECA LIMITED (GB) 1995-05-30 US disclosed
US-5332757-A Enzyme inhibitors ZENECA LIMITED (GB) 1994-07-26 US disclosed
EP-0586229-A1 3-Hydroxy-3-(subst-akyl)-pyrrolidines as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-03-09 EP disclosed
EP-0555068-A1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP disclosed