SCHEMBL9380206

SCHEMBL9380206

COc1ccc2cc([C@@H]3C[C@H]3C(C)N(O)C(N)=O)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.60
TSHR P16473 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
PTGS2 P35354 3/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
PTGS1 P23219 2/20 0.39
CDC42 P60953 1/20 0.39
RAC1 P63000 1/20 0.39
CYP1A2 P05177 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC9A1 P19634 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38

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
SCHEMBL9380200 1.00 ALOX5 (0.60) ALOX5TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL9384460 0.89 ALOX5 (0.61) ALOX5SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL9384457 0.89 ALOX5 (0.61) ALOX5SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL9380387 0.78 ALOX5 (0.80) ALOX5TSHRLMNAMAPTCYP2C9
SCHEMBL9380392 0.78 ALOX5 (0.80) ALOX5TSHRLMNAMAPTCYP2C9
SCHEMBL9385395 0.77 ALOX5 (0.46) ALOX5SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL9385399 0.77 ALOX5 (0.46) ALOX5SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL9380156 0.77 ALOX5 (0.65) ALOX5SLC6A2SLC6A4SLC6A3CYP2C9
SCHEMBL9380154 0.77 ALOX5 (0.65) ALOX5SLC6A2SLC6A4SLC6A3CYP2C9
SCHEMBL9380906 0.76 ALOX5 (0.64) ALOX5SLC6A2SLC6A4SLC6A3

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