SCHEMBL8088073

SCHEMBL8088073

COC(=O)Nc1cc(OC(=O)OCC(C)C)c(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 1/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
GPR35 Q9HC97 1/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
DHODH Q02127 1/20 0.35
CUL4A Q13619 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8760807 0.86 POLB (0.43) TSHRL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL8083816 0.81 ALDH1A1 (0.46) TSHRL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL9407131 0.79 ALDH1A1 (0.48) TSHRL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL9407125 0.79 HPGD (0.42) ALDH1A1LMNANPSR1SMN1; SMN2POLB
SCHEMBL8076435 0.79 TSHR (0.44) TSHRL3MBTL1TDP1ALDH1A1LMNA
SCHEMBL9427678 0.77 ALDH1A1 (0.52) TSHRL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL9620164 0.77 ALDH1A1 (0.38) TSHRL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL11806580 0.76 TSHR (0.63) TSHRL3MBTL1TDP1ALDH1A1LMNA
SCHEMBL8076434 0.76 NPC1 (0.49) L3MBTL1ALDH1A1SMN1; SMN2HPGDMAOB
SCHEMBL8959300 0.76 CUL4A (0.42) ALDH1A1LMNANPSR1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5017427-A None JP disclosed
EP-0493606-B1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2000-10-18 EP disclosed
EP-1006105-A1 Benzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 2000-06-07 EP disclosed
US-5464811-A Benzene derivatives substituted with heterocyclic ring and herbicides containing same as active ingredients SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-11-07 US disclosed
US-5424277-A An N-substituted-3,4,5,6-tetrahydrophthalimide derivative characterized by having a cycloalkoxy group at the 5-position of the phenyl ring on the nitrogen SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-06-13 US disclosed
JP-H0517427-A PHENYLCARBAMATE DERIVATIVE AND ITS PRODUCTION SAGAMI CHEM RES CENTER 1993-01-26 JP disclosed
EP-0493606-A1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-08 EP disclosed