SCHEMBL1685282

SCHEMBL1685282

CC(C)(C)Cc1cccc(C(C)(C)C)c1C([NH])=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
ALDH1A1 P00352 4/20 0.33
RIPK1 Q13546 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.31
NLRP3 Q96P20 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
GLRA3 O75311 1/20 0.30
GLRB P48167 1/20 0.30

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
SCHEMBL1685206 0.88 GABRA1 (0.40) GABRA1GABRB2RIPK1TSHRTDP1
SCHEMBL1274918 0.83 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1RIPK1
SCHEMBL1685254 0.82 CA2 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1685284 0.78 GABRA1 (0.37) CA2GABRA1GABRB2TSHRTDP1
SCHEMBL1274720 0.73 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1RIPK1
SCHEMBL1275546 0.73 GABRA1 (0.40) GABRA1GABRB2ALDH1A1RIPK1TSHR
SCHEMBL1274723 0.73 CA2 (0.61) CA2GABRA1GABRB2ALDH1A1RIPK1
SCHEMBL20441215 0.72 RIPK1 (0.47) CA2GABRA1GABRB2ALDH1A1RIPK1
SCHEMBL1685298 0.71 CYP3A4 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL22243485 0.69 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1RIPK1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110536907-B Method for producing multipolymer, rubber composition and tire 株式会社普利司通 2022-06-17 CN disclosed
CN-110520449-B Method for producing multipolymer, rubber composition and tire 株式会社普利司通 2021-09-21 CN disclosed
CN-108137745-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2021-03-09 CN disclosed
CN-108350129-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2021-03-09 CN disclosed
CN-108137759-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2021-03-09 CN disclosed
CN-108137758-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2020-10-23 CN disclosed
CN-108137765-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2020-09-18 CN disclosed
CN-108137766-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2020-09-04 CN disclosed
CN-108290972-B Polymerization catalyst composition and method for producing conjugated diene polymer 株式会社普利司通 2020-06-26 CN disclosed
CN-111315789-A Copolymer, method for producing copolymer, rubber composition, and tire 株式会社普利司通 2020-06-19 CN disclosed
US-20050170951-A1 Catalyst composition RIKEN (JP) 2005-08-04 US disclosed
EP-1541593-A1 CATALYST COMPOSITION RIKEN (JP) 2005-06-15 EP disclosed
EP-1500667-A1 CATALYST COMPOSITION Riken (JP) 2005-01-26 EP disclosed
US-6683140-B2 Catalyst for polymerization RIKEN (JP) 2004-01-27 US disclosed
US-20030166458-A1 Block copolymerization of a conjugated diene and an aromatic vinyl compound, which comprises the steps of carrying out homopolymerization of the conjugated diene in the presence of a catalyst composition comprising the following RIKEN (JP) 2003-09-04 US disclosed
US-6596828-B1 polymerization of a conjugated diene or copolymerization of a conjugated diene and an aromatic vinyl compound, which comprises the following components: (A) a metallocene-type complex of a rare earth metal compound (samarium complex RIKEN (JP) 2003-07-22 US disclosed
US-20030018144-A1 Catalyst composition RIKEN (JP) 2003-01-23 US disclosed
EP-1270626-A1 CATALYST COMPOSITION AND PROCESS FOR PRODUCING COPOLYMER Riken (JP) 2003-01-02 EP disclosed
US-20020119889-A1 Catalyst for polymerization RIKEN (JP) 2002-08-29 US disclosed
EP-1086957-A1 CATALYST COMPOSITION Riken (JP) 2001-03-28 EP disclosed