SCHEMBL8088035

SCHEMBL8088035

CC(C)COC(=O)Oc1cc(N)c(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.38
CA2 P00918 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTR4 Q13639 4/20 0.35
CYP3A4 P08684 2/20 0.35
HTR3A P46098 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SCN9A Q15858 1/20 0.34
ADORA2B P29275 1/20 0.34
GLA P06280 1/20 0.33

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
SCHEMBL8076435 0.89 TSHR (0.44) TSHRTDP1L3MBTL1CA2SMN1; SMN2
SCHEMBL11806580 0.75 TSHR (0.63) TSHRTDP1L3MBTL1GAACA2
SCHEMBL8084543 0.75 L3MBTL1 (0.46) TSHRTDP1L3MBTL1CA2SMN1; SMN2
SCHEMBL27621218 0.75 GAA (0.42) TSHRGAASMN1; SMN2LMNAHTR4
SCHEMBL8084425 0.74 TSHR (0.40) TSHRTDP1L3MBTL1GAASMN1; SMN2
SCHEMBL8088073 0.74 TSHR (0.40) TSHRTDP1L3MBTL1GAASMN1; SMN2
SCHEMBL8604258 0.73 CUL4A (0.49) TSHRGAASMN1; SMN2MAPTHTR4
SCHEMBL27578598 0.73 GAA (0.39) TSHRTDP1L3MBTL1GAASMN1; SMN2
SCHEMBL8603914 0.71 CUL4A (0.39) TSHRTDP1L3MBTL1GAASMN1; SMN2
SCHEMBL8084592 0.71 CUL4A (0.46) GAASMN1; SMN2LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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