SCHEMBL7761117

SCHEMBL7761117

CC(C)(C)c1ccc(C(N)CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.46
LMNA P02545 2/20 0.46
TYR P14679 1/20 0.43
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
RECQL P46063 1/20 0.40
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39
TSHR P16473 1/20 0.39
GRIA4 P48058 2/20 0.39
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX2 P34913 1/20 0.38
FFAR1 O14842 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
SCHEMBL17085961 1.00 SCN10A (0.46) SCN10ALMNATYRANPEPERAP2
SCHEMBL8045399 0.84 LMNA (0.41) SCN10ALMNATYRANPEPERAP2
SCHEMBL1444985 0.82 ANPEP (0.41) SCN10AANPEPTSHR
SCHEMBL11660622 0.81 TSHR (0.41) LMNATYRANPEPERAP2SLC22A2
SCHEMBL21866432 0.81 SLC6A4 (0.53) SCN10ALMNATYRANPEPERAP2
SCHEMBL20768611 0.80 MAP4K4 (0.41) SCN10ALMNAANPEPERAP2KIF11
SCHEMBL20768612 0.80 MAP4K4 (0.41) SCN10ALMNAANPEPERAP2KIF11
SCHEMBL996526 0.79 GRM8 (0.44) KIF11
SCHEMBL27160104 0.79 GRM8 (0.44) KIF11
SCHEMBL996527 0.79 GRM8 (0.44) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740660-B1 SUBSTITUTED OXAZOLINES BAYER AG (DE) 2001-11-07 EP disclosed
EP-1132368-A2 Process for the preparation of 2-fluoro-1,1-dichloro-acrylyl chloride Bayer Aktiengesellschaft (DE) 2001-09-12 EP disclosed
EP-0740661-B1 DIPHENYL OXAZOLINE DERIVATIVES BAYER AG (DE) 2001-04-18 EP disclosed
CN-1057523-C Diphenyl oxazoline derivatives BAYER AG (DE) 2000-10-18 CN disclosed
US-6051589-A USED AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-04-18 US disclosed
US-5990140-A 2-ALKYL OR CYCLOALKYL-4-PHENYL-2-OXAZOLINE DERIVATIVES; PESTICIDES; INSECTICIDES; MITICIDES; LARVICIDES; LOW DOSAGE BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
CN-1192651-A Ectoparasiticidal compositions BAYER AG (DE) 1998-09-09 CN disclosed
EP-0831704-A1 USE OF OXAZOLINES FOR COMBATTING ECTOPARASITES BAYER AG (DE) 1998-04-01 EP disclosed
WO-1996041534-A1 USE OF OXAZOLINES FOR COMBATTING ECTOPARASITES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-27 WO disclosed
CN-1138856-A Sabstituted oxazolines BAYER AG (DE) 1996-12-25 CN disclosed
CN-1138854-A Diphenyl oxazoline derivatives BAYER AG (DE) 1996-12-25 CN disclosed
EP-0740660-A1 SUBSTITUTED OXAZOLINES BAYER AG (DE) 1996-11-06 EP disclosed
EP-0740661-A1 DIPHENYL OXAZOLINE DERIVATIVES BAYER AG (DE) 1996-11-06 EP disclosed
WO-1995019350-A1 DIPHENYL OXAZOLINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1995-07-20 WO disclosed
WO-1995019349-A1 SUBSTITUTED OXAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 1995-07-20 WO disclosed
CN-1024794-C Oxa-or thia-zoline derivative and preparaiton thereof YASHIMA KAGAKU KOGYO KK (JP) 1994-06-01 CN disclosed
EP-0345775-B1 OXA- OR THIA-ZOLINE DERIVATIVE YASHIMA CHEMICAL INDUSTRIAL CO., LTD. (JP) 1992-04-08 EP disclosed
US-4977171-A INSECTICIDES YASHIMA CHEMICAL INDUSTRIAL CO., LTD. (JP) 1990-12-11 US disclosed