SCHEMBL9385609

SCHEMBL9385609

CC(C)COc1ccc([C@@H]2C[C@H]2CN(O)C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.52
HTR2C P28335 2/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
USP2 O75604 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
ACACB O00763 2/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9385605 1.00 ALOX5 (0.52) ALOX5HTR2CMAPTALDH1A1TSHR
SCHEMBL9387465 0.86 ALOX5 (0.55) ALOX5HTR2CALDH1A1KDM4EGAA
SCHEMBL9387460 0.86 ALOX5 (0.55) ALOX5HTR2CALDH1A1KDM4EGAA
SCHEMBL9382278 0.85 ALOX5 (0.54) ALOX5HTR2CMAPTALDH1A1TSHR
SCHEMBL9382282 0.85 ALOX5 (0.54) ALOX5HTR2CMAPTALDH1A1TSHR
SCHEMBL9381956 0.84 ALOX5 (0.53) ALOX5NPC1RAB9A
SCHEMBL9381954 0.84 ALOX5 (0.53) ALOX5NPC1RAB9A
SCHEMBL9380414 0.83 ALOX5 (0.58) ALOX5HTR2CMAPTKMT2ANPC1
SCHEMBL9380418 0.83 ALOX5 (0.58) ALOX5HTR2CMAPTKMT2ANPC1
SCHEMBL9382746 0.81 ALOX5 (0.55) ALOX5LMNA

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