SCHEMBL9070286

SCHEMBL9070286

CCC(C)OCc1ccc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NR3C1 P04150 3/20 0.39
NR3C2 P08235 3/20 0.39
PGR P06401 2/20 0.39
PYCR1 P32322 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4A O75164 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
SCHEMBL683175 0.79 KDM4E (0.47) KDM4EALDH1A1NR3C1NR3C2PGR
SCHEMBL14887942 0.78 KDM4E (0.38) KDM4EALDH1A1NR3C1NR3C2PGR
SCHEMBL17448774 0.77 KDM4E (0.43) KDM4EALDH1A1NR3C1NR3C2PGR
SCHEMBL14443335 0.76 CRHR1 (0.33) ALDH1A1
SCHEMBL30618212 0.74 ALDH1A1 (0.44) KDM4EALDH1A1PYCR1MEN1USP2
SCHEMBL8516081 0.74 ALDH1A1 (0.44) KDM4EALDH1A1PYCR1MEN1USP2
SCHEMBL15012476 0.74 ALDH1A1 (0.44) KDM4EALDH1A1PYCR1MEN1USP2
SCHEMBL14196444 0.74 ALDH1A1 (0.37) KDM4EALDH1A1NR3C1NR3C2PGR
SCHEMBL9070613 0.73 AGXT (0.48) ALDH1A1MAPTSMN1; SMN2
SCHEMBL3432857 0.73 KDM4E (0.41) KDM4EALDH1A1NR3C1NR3C2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731791-A1 NOVEL BENZENESULFONYLIMINE DERIVATIVES AS INHIBITORS OF IL-1 ACTION MERRELL PHARMACEUTICALS INC. (US) 1996-09-18 EP disclosed
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 EP disclosed
WO-1995014669-A1 NOVEL BENZENESULFONYLIMINE DERIVATIVES AS INHIBITORS OF IL-1 ACTION MERRELL PHARMACEUTICALS INC. (US) 1995-06-01 WO disclosed
CN-1016432-B Salicylic acid copolymer and method for preparing metal salt thereof MITSUI TOATSU CHEMICAIS INC (JP) 1992-04-29 CN disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
CN-1051368-A Salicylic acid copolymers and its metal-salt and preparation method thereof contain the developer of this metal salts of copolymers and the colour developing paper of this developer of employing MITSUI TOATSU CHEMICALS (JP) 1991-05-15 CN disclosed
CN-87107802-A Salicylic acid copolymer and metal salt thereof, process for producing the same, color-developing agent containing the copolymer metal salt, and color-developing paper using the color-developing agent 1988-08-10 CN disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 EP disclosed