SCHEMBL28859441

SCHEMBL28859441

CC=C(C)C(=O)Oc1ccc(CC2CO2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
THRB P10828 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ELANE P08246 1/20 0.33
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MGLL Q99685 2/20 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
SCHEMBL28053643 0.83 ALDH1A1 (0.50) KMT2AGLATSHRLMNACYP1A2
SCHEMBL16504635 0.78 LMNA (0.46) KMT2ALMNAALDH1A1ELANESMN1; SMN2
SCHEMBL9181993 0.76 PRSS1 (0.44) KMT2AGLATSHRLMNAALDH1A1
SCHEMBL28215669 0.75 ALDH1A1 (0.37) GLAL3MBTL1THRBALDH1A1MGLL
SCHEMBL9075857 0.74 ALDH1A1 (0.40) KMT2AGLATSHRLMNACYP1A2
SCHEMBL7072763 0.74 THRB (0.61) KMT2ALMNAL3MBTL1THRBALDH1A1
SCHEMBL28106663 0.73 ALDH1A1 (0.61) KMT2AGLATSHRLMNACYP2C19
SCHEMBL11058761 0.73 LMNA (0.50) KMT2ALMNAMAPK1L3MBTL1ELANE
SCHEMBL14063048 0.72 TP53 (0.42) KMT2AGLATSHRTHRBMGLL
SCHEMBL14063018 0.72 TP53 (0.42) KMT2AGLATSHRTHRBMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107976866-A Photosensitive composite, the manufacture method of photosensitive composite, the preparation method of Photoepolymerizationinitiater initiater and Photoepolymerizationinitiater initiater 东京应化工业株式会社 2018-05-01 CN disclosed