SCHEMBL6924342

SCHEMBL6924342

C=C(C)c1c(C)cccc1C.C=C(C)c1ccc(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.41
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2A6 P11509 1/20 0.36
HSD11B1 P28845 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
CYP2C19 P33261 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
SCHEMBL29444190 0.87 TDP1 (0.46) NFE2L2KMT2ATP53TDP1CYP1A2
SCHEMBL674175 0.87 TDP1 (0.46) NFE2L2KMT2ATP53TDP1CYP1A2
SCHEMBL674139 0.80 ALDH1A1 (0.46) KMT2ATDP1CYP1A2CYP2A6ACHE
SCHEMBL9272886 0.77 ALDH1A1 (0.39) KMT2ATDP1CYP1A2CYP2A6SMN1; SMN2
SCHEMBL22078945 0.75 KMT2A (0.43) NFE2L2KMT2ATP53TDP1HSD11B1
SCHEMBL11610560 0.74 NFE2L2 (0.50) NFE2L2KMT2AHSD11B1POLBSMN1; SMN2
SCHEMBL6547363 0.72 TDP1 (0.48) NFE2L2KMT2ATP53TDP1CYP1A2
SCHEMBL29883022 0.72 TDP1 (0.48) NFE2L2KMT2ATP53TDP1CYP1A2
SCHEMBL1820394 0.72 CSNK2A1 (0.40) NFE2L2KMT2ATP53TDP1CYP1A2
SCHEMBL29749725 0.72 CSNK2A1 (0.40) NFE2L2KMT2ATP53TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515083-B2 Cationic polymerization of a monomers comprising isobutylene and monomer component whose major monomer is not isobutylene in presence of initiator and in a mixed solvent containing a monohalogenated hydrocarbon and hydrocarbon KANEKA CORPORATION (JP) 2003-02-04 US disclosed
US-20020082354-A1 Process for producing isobutylene block copolymer KANEKA CORPORATION (JP) 2002-06-27 US disclosed