SCHEMBL8084543

SCHEMBL8084543

CC(C)COC(=O)Oc1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA2 P00918 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
POLB P06746 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL810361 0.84 CUL4A (0.48) L3MBTL1TSHRALDH1A1PKMNPC1
SCHEMBL31047106 0.84 CUL4A (0.48) L3MBTL1TSHRALDH1A1PKMNPC1
SCHEMBL2031215 0.82 SMN1; SMN2 (0.45) L3MBTL1ALDH1A1NPC1RAB9AMEN1
SCHEMBL8759715 0.81 RAB9A (0.46) L3MBTL1ALDH1A1PKMNPC1RAB9A
SCHEMBL11806580 0.80 TSHR (0.63) L3MBTL1TSHRTDP1ALDH1A1CA2
SCHEMBL31047101 0.79 CUL4A (0.44) L3MBTL1TSHRALDH1A1PKMNPC1
SCHEMBL8076435 0.78 TSHR (0.44) L3MBTL1TSHRTDP1ALDH1A1CA2
SCHEMBL7119563 0.77 ALOX15 (0.46) L3MBTL1ALDH1A1PKMNPC1RAB9A
SCHEMBL25805276 0.77 ALDH1A1 (0.51) L3MBTL1TSHRTDP1ALDH1A1PKM
SCHEMBL27624109 0.77 NR3C2 (0.43) L3MBTL1ALDH1A1NPC1RAB9AMEN1

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