SCHEMBL17763381

SCHEMBL17763381

COc1ccc(C(=O)N[N+](C)(C)CC(O)COc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ CYP2D6 P10635 4/20 0.50
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CASR P41180 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 3/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ADRB2 P07550 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ ADRB3 P13945 1/20 0.45

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
SCHEMBL17763398 0.91 ADRB1 (0.48) ALDH1A1CYP2D6LMNAMAPTPOLB
SCHEMBL17763402 0.86 ALDH1A1 (0.44) ALDH1A1CYP2D6KMT2AMEN1LMNA
SCHEMBL17763380 0.86 PRSS1 (0.45) ALDH1A1CYP2D6KMT2AMEN1LMNA
SCHEMBL17763340 0.84 MEN1 (0.61) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL15031307 0.83 CA1 (0.50) ALDH1A1KMT2ALMNAKDM4E
SCHEMBL2277722 0.73 ABCB1 (0.67) ALDH1A1CYP2D6KMT2AMEN1LMNA
SCHEMBL13135883 0.73 MAPT (0.48) ALDH1A1CYP2D6KMT2ALMNAMAPT
Water SCHEMBL8631908 0.72 ABCB1 (0.65) ALDH1A1CYP2D6KMT2AMEN1LMNA
SCHEMBL9044553 0.72 MAPT (0.58) ALDH1A1CYP2D6KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL1702139 0.72 ABCB1 (0.65) ALDH1A1CYP2D6KMT2AMEN1LMNA

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
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