SCHEMBL28145291

SCHEMBL28145291

C=C(C)C(=O)OC.c1cc2cc3cc4cc5ccc6cc7cc8cc9cccc%10cc%11cc%12cc%13ccc%14cc%15cc%16cc(c1)c2c1c3c2c4c3c5c6c4c7c5c8c(c9%10)c%11c6c%12c7c%13c%14c8c%15c(c%161)c2c1c3c4c(c56)c7c81

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
KLK7 P49862 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MTNR1A P48039 5/20 0.33
MTNR1B P49286 3/20 0.33
ELANE P08246 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ERBB2 P04626 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
Pyrene SCHEMBL678886 0.88 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4EMAPT
Methacrylic Acid SCHEMBL28863109 0.83 KMT2A (0.48) ALDH1A1KMT2AMEN1KDM4EMAPT
Anthracene SCHEMBL909619 0.83 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL28157624 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4EMAPT
Naphthalene SCHEMBL4378459 0.79 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1KDM4EMAPT
Anthracene SCHEMBL27835058 0.78 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1KDM4EMAPT
Methacrylic Acid SCHEMBL27818242 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL28989631 0.75 ELANE (0.47) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL28161020 0.75 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1KDM4EMAPT
Acridine SCHEMBL18770814 0.75 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1KDM4EMAPT

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-108369910-A A method of it forming gate dielectric layer on the surface of graphene and prepares transistor 华为技术有限公司 2018-08-03 CN disclosed
CN-106753693-A A kind of preparation method of the lube oil additive of ultra-low friction 王茹楠 2017-05-31 CN disclosed