SCHEMBL10691580

SCHEMBL10691580

CC(C)Cc1ccc(C(C)C(=O)N(O)C(C)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.67
PTGS1 P23219 3/20 0.58
PTGS2 P35354 3/20 0.58
LMNA P02545 2/20 0.58
CYP2C9 P11712 2/20 0.58
AKR1C3 P42330 2/20 0.58
CXCR1 P25024 2/20 0.58
CXCR2 P25025 2/20 0.58
ALB P02768 1/20 0.58
ESR1 P03372 1/20 0.58
RARB P10826 1/20 0.58
ADRB3 P13945 1/20 0.58
NFKB1 P19838 1/20 0.58
HTR2A P28223 1/20 0.58
NR1I3 Q14994 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
CXCL8 P10145 1/20 0.58
TSHR P16473 1/20 0.58
AKR1C2 P52895 1/20 0.58
BLM P54132 1/20 0.58

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
SCHEMBL10693720 0.80 ALOX5 (1.00) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL10620270 0.79 ALOX5 (0.73) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL10694238 0.78 ALOX5 (0.76) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL9443901 0.77 ALOX5 (1.00) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL10875438 0.77 ALOX5 (0.55) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL3151507 0.75 PTGS1 (0.63) ALOX5PTGS1PTGS2LMNACYP2C9
SCHEMBL9443914 0.75 ALOX5 (0.68) ALOX5PTGS1PTGS2LMNACYP2C9
Ibuprofen SCHEMBL8754799 0.74 PTGS1 (1.00) ALOX5PTGS1PTGS2LMNACYP2C9
Ibuprofen SCHEMBL19439559 0.74 PTGS1 (1.00) ALOX5PTGS1PTGS2LMNACYP2C9
Ibuprofen SCHEMBL239446 0.74 PTGS1 (1.00) ALOX5PTGS1PTGS2LMNACYP2C9

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
EP-0196674-A2 Hydroxamates as modulators of arachidonic acid metabolic pathways USV PHARMACEUTICAL CORPORATION (US) 1986-10-08 EP claimed
US-4792560-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-12-20 US disclosed
EP-0196674-A2 Hydroxamates as modulators of arachidonic acid metabolic pathways USV PHARMACEUTICAL CORPORATION (US) 1986-10-08 EP disclosed