SCHEMBL8057322

SCHEMBL8057322

CC(C)CCOC=Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.42
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
MTOR P42345 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNB2 P17787 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
SCHEMBL21596550 0.87 LMNA (0.38) HTR2ATP53SMN1; SMN2POLBMAPT
SCHEMBL21596552 0.87 LMNA (0.38) HTR2ATP53SMN1; SMN2POLBMAPT
SCHEMBL8382100 0.84 TP53 (0.39) HTR2ATP53SMN1; SMN2MAPTNPC1
SCHEMBL4905648 0.84 TP53 (0.39) HTR2ATP53SMN1; SMN2MAPTNPC1
SCHEMBL13686299 0.82 MAOB (0.48) SMN1; SMN2MAPTCYP2D6CYP2C9MAPK1
SCHEMBL5670358 0.81 NPC1 (0.45) HTR2ATP53SMN1; SMN2NPC1MTOR
SCHEMBL3657484 0.81 HTT (0.37) HTR2ATP53SMN1; SMN2POLBMAPT
SCHEMBL7770602 0.81 NPC1 (0.45) HTR2ATP53SMN1; SMN2NPC1MTOR
SCHEMBL2098848 0.79 RELA (0.46) TP53SMN1; SMN2POLBMAPTMTOR
SCHEMBL3882957 0.78 TP53 (0.41) HTR2ATP53SMN1; SMN2MAPTNPC1

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
CN-117683164-A Modified resin, preparation method thereof and modulated wax 恒河材料科技股份有限公司 2024-03-12 CN disclosed
EP-0883652-B1 RADIATION CURABLE COATING COMPOSITION DSM NV (NL) 2000-03-15 EP disclosed
US-6025409-A COMPRISING (A) UNSATURATED COMPOUND HAVING AT LEAST ONE MALEATE, FUMERATE, ITACONATE, CITRACONATE OR MESACONATE GROUP; (B) AN UNSATURATED VINYLETHER COMPOUND AND A COMPOUND WHICH FORMS A STRONG EXCIPLEX WITH (A) OR (B); DSM N.V. (NL) 2000-02-15 US disclosed
EP-0883652-A1 RADIATION CURABLE COATING COMPOSITION DSM N.V. (NL) 1998-12-16 EP disclosed
WO-1997031981-A1 RADIATION CURABLE COATING COMPOSITION DSM N.V. (NL) 1997-09-04 WO disclosed