SCHEMBL9382010

SCHEMBL9382010

CC(C)Cc1ccc([C@@H]2C[C@H]2C(C)N(O)C(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.60
EPHX1 P07099 1/20 0.42
FAAH O00519 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
ESR1 P03372 1/20 0.37
RARB P10826 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRB3 P13945 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS1 P23219 1/20 0.37
HTR2A P28223 1/20 0.37
PTGS2 P35354 1/20 0.37
AKR1C3 P42330 1/20 0.37
NR1I3 Q14994 1/20 0.37
SLC22A6 Q4U2R8 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
SCHEMBL9380156 0.83 ALOX5 (0.65) ALOX5CYP2C9HTR2A
SCHEMBL9380154 0.83 ALOX5 (0.65) ALOX5CYP2C9HTR2A
SCHEMBL9380421 0.82 ALOX5 (0.64) ALOX5
SCHEMBL9380906 0.82 ALOX5 (0.64) ALOX5
SCHEMBL9383867 0.82 ALOX5 (0.73) ALOX5SMN1; SMN2
SCHEMBL7959760 0.82 ALOX5 (0.73) ALOX5SMN1; SMN2
SCHEMBL9381959 0.82 ALOX5 (0.73) ALOX5SMN1; SMN2
SCHEMBL7959761 0.82 ALOX5 (0.73) ALOX5SMN1; SMN2
SCHEMBL9384460 0.80 ALOX5 (0.61) ALOX5NPC1RAB9A
SCHEMBL9384457 0.80 ALOX5 (0.61) ALOX5NPC1RAB9A

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