SCHEMBL28852259

SCHEMBL28852259

CCCCCCC(C)C.N=C=O.N=C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
OPRM1 P35372 1/20 0.42
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
FDPS P14324 3/20 0.40
LMNA P02545 2/20 0.40
CA1 P00915 2/20 0.40
SPHK1 Q9NYA1 1/20 0.40
FFAR1 O14842 1/20 0.40
TP53 P04637 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
DNM1 Q05193 1/20 0.39

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
SCHEMBL27916344 1.00 MAPT (0.43) MAPTOPRM1ADH1BADH1CADH1A
SCHEMBL11407940 1.00 MAPT (0.43) MAPTOPRM1ADH1BADH1CADH1A
SCHEMBL11344550 0.98 OPRM1 (0.44) MAPTOPRM1ADH1BADH1CADH1A
SCHEMBL215973 0.98 OPRM1 (0.44) MAPTOPRM1ADH1BADH1CADH1A
SCHEMBL27576249 0.90 LMNA (0.38) MAPTOPRM1FDPSLMNACA1
SCHEMBL4810926 0.90 LMNA (0.38) MAPTOPRM1FDPSLMNACA1
SCHEMBL28417881 0.90 LMNA (0.48) MAPTLMNACA1
Methane SCHEMBL29039910 0.88 LMNA (0.36) MAPTOPRM1FDPSLMNACA1
SCHEMBL11227380 0.87 LMNA (0.50) LMNACA1
SCHEMBL15487110 0.86 ACE2 (0.55) MAPTOPRM1ADH1BADH1CADH1A

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
CN-107835951-A Photochromic coating composition 株式会社德山 2018-03-23 CN disclosed
CN-107207851-A Method for producing photochromic cured product 株式会社德山 2017-09-26 CN disclosed