SCHEMBL9381663

SCHEMBL9381663

COc1cc(C2CC2CN(O)C(N)=O)cc(Br)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.47
TSHR P16473 2/20 0.45
APOBEC3A P31941 1/20 0.45
HTT P42858 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL9381670 1.00 ALOX5 (0.47) ALOX5TSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL9380429 0.92 ALOX5 (0.52) ALOX5TSHRHTTALDH1A1MAPK1
SCHEMBL9380423 0.92 ALOX5 (0.52) ALOX5TSHRHTTALDH1A1MAPK1
SCHEMBL9381615 0.85 ALOX5 (0.54) ALOX5HTTALDH1A1HPGDKDM4E
SCHEMBL9381617 0.85 ALOX5 (0.54) ALOX5HTTALDH1A1HPGDKDM4E
SCHEMBL9380717 0.82 ALOX5 (0.58) ALOX5POLBGAANPSR1CA1
SCHEMBL9380715 0.82 ALOX5 (0.58) ALOX5POLBGAANPSR1CA1
SCHEMBL9382062 0.80 ALOX5 (0.47) ALOX5CA1CA2CA12CA9
SCHEMBL9382066 0.80 ALOX5 (0.47) ALOX5CA1CA2CA12CA9
SCHEMBL9380499 0.79 ALOX5 (0.60) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP claimed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP claimed
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP disclosed
US-5120752-A N-(1-(20(3-pyridyloxy)phenyl)cyclopropyl) alkyl-N-hydroxyurea compounds, antiinflammatory agents ABBOTT LABORATORIES (US) 1992-06-09 US disclosed
US-5037853-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1991-08-06 US disclosed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP disclosed