SCHEMBL28048336

SCHEMBL28048336

C=C(O)C(=O)Oc1c(C)ccc(C(=O)c2ccccc2)c1OCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.46
CCNE2 O96020 2/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 2/20 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
SCHEMBL15908217 0.88 CCNB2 (0.53) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL28520349 0.86 CCNB2 (0.45) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL28517696 0.81 CCNE2 (0.42) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL27590753 0.79 ALDH1A1 (0.40) LMNAMAPTCYP3A4SLC6A3ALDH1A1
SCHEMBL533850 0.78 CCNB2 (0.53) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL28022639 0.75 ELANE (0.40) LMNAMAPTMEN1SLC6A3KMT2A
SCHEMBL10758904 0.74 MAPT (0.48) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL295133 0.73 CCNB2 (0.53) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL4479542 0.73 LMNA (0.58) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL5154293 0.73 CCNB2 (0.53) CCNB2CCNE2CDK1CCNB1CCNE1

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
CN-105555816-A Silicone hydrogel lenses with relatively long thermal stability NOVARTIS AG 2016-05-04 CN claimed
CN-105579480-B Method for making UV absorbing ophthalmic lenses 诺华股份有限公司 2019-02-22 CN disclosed
CN-105579480-A Method for making UV absorbing ophthalmic lenses NOVARTIS AG 2016-05-11 CN disclosed