SCHEMBL9380392

SCHEMBL9380392

CC([C@@H]1C[C@H]1c1ccc(Oc2ccccc2)cc1)N(O)C(N)=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.80
KDM1A O60341 1/20 0.48
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 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
SCHEMBL9380387 1.00 ALOX5 (0.80) ALOX5KDM1AACACBACACAMAPT
SCHEMBL9381586 0.89 ALOX5 (1.00) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9381582 0.89 ALOX5 (1.00) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL7959761 0.88 ALOX5 (0.73) ALOX5KDM1AALDH1A1NPSR1
SCHEMBL9381959 0.88 ALOX5 (0.73) ALOX5KDM1AALDH1A1NPSR1
SCHEMBL9383867 0.88 ALOX5 (0.73) ALOX5KDM1AALDH1A1NPSR1
SCHEMBL7959760 0.88 ALOX5 (0.73) ALOX5KDM1AALDH1A1NPSR1
SCHEMBL9381059 0.86 ALOX5 (0.61) ALOX5KCNH2SCN3A
SCHEMBL9381063 0.86 ALOX5 (0.61) ALOX5KCNH2SCN3A
SCHEMBL9384460 0.86 ALOX5 (0.61) ALOX5KDM1AMAPT

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