SCHEMBL3152241

SCHEMBL3152241

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 1.00
CXCR1 P25024 5/20 0.70
CXCR2 P25025 5/20 0.70
PTGS1 P23219 3/20 0.70
PTGS2 P35354 3/20 0.70
LMNA P02545 2/20 0.70
CYP2C9 P11712 2/20 0.70
AKR1C3 P42330 2/20 0.70
ALOX5 P09917 2/20 0.70
ALB P02768 1/20 0.70
ESR1 P03372 1/20 0.70
RARB P10826 1/20 0.70
ADRB3 P13945 1/20 0.70
NFKB1 P19838 1/20 0.70
HTR2A P28223 1/20 0.70
NR1I3 Q14994 1/20 0.70
SLC22A6 Q4U2R8 1/20 0.70
CXCL8 P10145 1/20 0.70
TSHR P16473 1/20 0.70
AKR1C2 P52895 1/20 0.70

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
SCHEMBL260688 1.00 EPHX1 (1.00) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL1883571 1.00 EPHX1 (1.00) EPHX1CXCR1CXCR2PTGS1PTGS2
Hydrochloric Acid SCHEMBL3424822 0.98 EPHX1 (0.96) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL1082216 0.90 EPHX1 (0.81) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL11641216 0.85 EPHX1 (0.74) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL13802425 0.84 EPHX1 (0.72) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL4471196 0.82 CXCR1 (0.79) EPHX1CXCR1CXCR2PTGS1PTGS2
Ibuprofen SCHEMBL239446 0.82 PTGS1 (1.00) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL1526008 0.82 EPHX1 (0.70) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL22509339 0.82 EPHX1 (0.70) EPHX1CXCR1CXCR2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025043152-A1 METHODS OF DEALKENYLATIVE AMINATION AND AZIDATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-02-27 WO disclosed
CN-117105822-A Synthesis method of (R) -3- (tertiary Ding Yangtan group) amino-2-methylpropanoic acid 杭州澳赛诺生物科技有限公司 2023-11-24 CN disclosed
EP-4272761-A2 COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS Medicon Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
EP-2990410-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES Alnylam Pharmaceuticals Inc. (US) 2016-03-02 EP disclosed
US-7705050-B2 Amides, useful in the inhibition of IL-8-induced chemotaxis of neutrophils DOMPÉ FARMACEUTICI S.P.A. (IT) 2010-04-27 US disclosed
EP-1255726-B1 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS DOMPE PHA R MA SPA RES & MFG (IT) 2009-11-11 EP disclosed
CN-100513386-C Amides for inhibiting interleukin 8-induced chemotaxis of neutrophils DOMP S P A (IT) 2009-07-15 CN disclosed
CN-1479715-A Amides for inhibiting interleukin 8-induced chemotaxis of neutrophils ��ķ�ɷ����޹�˾ 2004-03-03 CN disclosed
EP-1255726-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.P.A. (IT) 2002-11-13 EP disclosed
WO-2001058852-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8-INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.p.A. (IT) 2001-08-16 WO disclosed
US-5191095-A Preparation of ibuprofen ETHYL CORPORATION (US) 1993-03-02 US disclosed