SCHEMBL9700423

SCHEMBL9700423

Cc1cc(C2=NCCO2)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MMP13 P45452 1/20 0.33
SCARB1 Q8WTV0 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
LTA4H P09960 1/20 0.31
CFB P00751 1/20 0.31

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
SCHEMBL9668282 0.81 HSD17B1 (0.41) CYP2C19SCARB1
SCHEMBL3794785 0.80 KCNH2 (0.38) MMP13KCNH2HRH3ADRA2ALTA4H
SCHEMBL6670692 0.79 KCNH2 (0.34) MMP13KCNH2HRH3LTA4H
SCHEMBL7519297 0.79 KCNH2 (0.34) MMP13KCNH2HRH3ADRA2AADRA1A
SCHEMBL9705736 0.78 TTR (0.46) CYP1A2CYP2C9CYP2C19KCNH2HRH3
SCHEMBL9862946 0.77 CA2 (0.52) CA1CA2CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9705714 0.76 TTR (0.45) CYP1A2CYP2C9CYP2C19KCNH2HRH3
Hydrochloric Acid SCHEMBL9705801 0.76 CRHBP (0.37) KCNH2HRH3ALDH1A1LTA4H
SCHEMBL7832996 0.74 SCARB1 (0.37) SCARB1KCNH2HRH3ALDH1A1LMNA
SCHEMBL9862894 0.72 NISCH (0.41) CA1CA2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207454-B1 ISOXAZOLE AND FURAN DERIVATIVES, THEIR PREPARATION AND USE AS ANTIVIRAL AGENTS STERLING WINTHROP INC. (US) 1992-09-09 EP disclosed
US-5128422-A Molding materials HUELS AKTIENGESELLSCHAFT (DE) 1992-07-07 US disclosed
EP-0468162-A1 Modified polyphenylene ether based thermoplastic moulding compositions HÜLS AKTIENGESELLSCHAFT (DE) 1992-01-29 EP disclosed
US-5039746-A Solvent resistant; engineering thermoplastics HUELS AKTIENGESELLSCHAFT (DE) 1991-08-13 US disclosed
US-5039781-A Polyphenylene ether end capped with oxazoline moiety HUELS AKTIENGESELLSCHAFT (DE) 1991-08-13 US disclosed
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
EP-0391031-A2 Block copolymers based on polyphenylene ethers and polycondensates, and a process for their preparation HÜLS AKTIENGESELLSCHAFT (DE) 1990-10-10 EP disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
EP-0338208-A1 Functionalized polyphenylene ether and method for its preparation HÜLS AKTIENGESELLSCHAFT (DE) 1989-10-25 EP disclosed
EP-0338209-A2 Thermoplastic molding masses on the basis of functionalized polyphenylenethers and polyamides HÜLS AKTIENGESELLSCHAFT (DE) 1989-10-25 EP disclosed
US-4861791-A Dihydro-oxazolyl substituted-phenyl-aliphatic lower alkyl and their use as antiviral agents STERLING DRUG INC. (US) 1989-08-29 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0207454-A2 Isoxazole and furan derivatives, their preparation and use as antiviral agents STERLING WINTHROP INC. (US) 1987-01-07 EP disclosed