SCHEMBL17763376

SCHEMBL17763376

CC[N+](CC)(CC)Cc1c2ccccc2cc2ccccc12.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GPR35 Q9HC97 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP1A2 P05177 3/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.31
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 0.30
CHRNA7 P36544 2/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL17323593 0.88 HTR2A (0.50) HTR2AL3MBTL1MEN1KMT2AGPR35
SCHEMBL1039347 0.83 DNM1 (0.39) HTR2AL3MBTL1MEN1KMT2AALDH1A1
Tetrylammonium SCHEMBL381518 0.75 CHRNA7 (0.42) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL18095593 0.74 KDM4E (0.43) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL17323585 0.73 HTR2A (0.48) HTR2AL3MBTL1MEN1KMT2AGPR35
SCHEMBL12704930 0.72 HTR2A (0.44) HTR2AL3MBTL1MEN1KMT2AALDH1A1
Tetrylammonium SCHEMBL8569887 0.72 CHRNB4 (0.38) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL28074757 0.72 MEN1 (0.33) HTR2AL3MBTL1MEN1KMT2APOLB
SCHEMBL17323605 0.70 HTR2A (0.54) HTR2AL3MBTL1MEN1KMT2AGPR35
SCHEMBL10106100 0.70 DNM1 (0.42) HTR2AL3MBTL1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081612-B1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO LTD (JP) 2018-11-14 EP disclosed
US-9718999-B2 Photocurable composition having adhesive properties CEMEDINE CO., LTD (JP) 2017-08-01 US disclosed
US-20160312089-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO., LTD. (JP) 2016-10-27 US disclosed
EP-3081612-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES Cemedine Co., Ltd. (JP) 2016-10-19 EP disclosed
US-20160152783-A1 PHOTOCURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2016-06-02 US disclosed
EP-3023462-A1 PHOTOCURABLE COMPOSITION Cemedine Co., Ltd. (JP) 2016-05-25 EP disclosed