SCHEMBL9797170

SCHEMBL9797170

COc1ccc2cc(C(C)NC(=O)NO)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 1.00
AKR1C3 P42330 5/20 0.57
AKR1C2 P52895 5/20 0.57
PTGS2 P35354 3/20 0.57
PTGS1 P23219 3/20 0.57
TSHR P16473 2/20 0.57
CDC42 P60953 1/20 0.57
RAC1 P63000 1/20 0.57
CYP1A2 P05177 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
PDE2A O00408 3/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
MMP9 P14780 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ABCB11 O95342 1/20 0.51
AKR1C1 Q04828 1/20 0.50

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
SCHEMBL3719875 0.85 ALOX5 (0.74) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL12327041 0.84 ALOX5 (0.72) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL9686076 0.83 MMP9 (0.75) ALOX5PDE2AMMP9TDP1
SCHEMBL9443943 0.81 ALOX5 (0.68) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL3724111 0.77 ACACB (0.77) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL24258312 0.76 ALOX5 (0.60) ALOX5AKR1C3AKR1C2PTGS2PTGS1
Hydroxyurea SCHEMBL9443929 0.75 ALOX5 (0.60) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL505811 0.75 TDP1 (0.77) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL505819 0.75 TDP1 (0.77) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL29403959 0.75 TDP1 (0.77) ALOX5AKR1C3AKR1C2PTGS2PTGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068251-A Nonsteroidal antiinflammatory agents, hydroxyurea derivatives ABBOTT LABORATORIES (US) 1991-11-26 US claimed
EP-0374602-A1 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1990-06-27 EP claimed
EP-0374602-A1 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1990-06-27 EP disclosed