SCHEMBL9734906

SCHEMBL9734906

CCC(CC)c1ccccc1C(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
ESR1 P03372 2/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
CCR5 P51681 1/20 0.34
TRPA1 O75762 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
ESR2 Q92731 1/20 0.33
MIF P14174 1/20 0.32

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
SCHEMBL2697178 0.84 TSHR (0.41) TSHRLMNATP53GABRA1GABRB2
SCHEMBL9656285 0.84 ESR1 (0.50) TSHRLMNAESR1
SCHEMBL2971289 0.84 TSHR (0.41) TSHRLMNATP53GABRA1GABRB2
SCHEMBL8517110 0.84 TSHR (0.41) TSHRLMNATP53GABRA1GABRB2
SCHEMBL31538069 0.84 ESR1 (0.50) TSHRLMNAESR1
SCHEMBL3316317 0.82 TSHR (0.40) TSHRLMNAGABRA1GABRB2GPR84
SCHEMBL9276125 0.82 GABRA1 (0.41) TSHRLMNATP53GABRA1GABRB2
SCHEMBL282881 0.82 TSHR (0.68) TSHRLMNAGABRA1GABRB2ESR1
SCHEMBL814926 0.82 TSHR (0.40) TSHRLMNAGABRA1GABRB2GPR84
SCHEMBL254417 0.82 HTT (0.41) TSHRLMNANOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233450-B1 LINEAR SALICYLIC ACID COPOLYMERS AND THEIR METAL SALTS, PRODUCTION PROCESS THEREOF, COLOR-DEVELOPING AGENTS COMPRISING METAL-RESINS OF THE COPOLYMERS, AND COLOR-DEVELOPING SHEETS EMPLOYING THE AGENTS MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-11 EP disclosed
US-4783521-A Linear salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal-resins of the copolymers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-11-08 US disclosed
EP-0233450-A2 Linear salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal-resins of the copolymers, and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-08-26 EP disclosed