SCHEMBL17763402

SCHEMBL17763402

CN(C)c1ccc(C(=O)N[N+](C)(C)CC(O)COc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ MAPT P10636 6/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ ADRB2 P07550 2/20 0.42
▸ ADRB1 P08588 2/20 0.42
▸ ADRB3 P13945 2/20 0.42
▸ KCNK3 O14649 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP2D6 P10635 2/20 0.41

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 0.89 ADRB1 (0.48) ALDH1A1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL17763381 0.86 ALDH1A1 (0.60) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL17763380 0.84 PRSS1 (0.45) ALDH1A1MAPTRAB9ALMNAHPGD
SCHEMBL17763340 0.82 MEN1 (0.61) ALDH1A1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL6221827 0.70 NPC1 (0.67) MAPTRAB9ASMN1; SMN2HPGDPOLB
SCHEMBL5384794 0.70 HDAC1 (0.52) ALDH1A1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL2277722 0.69 ABCB1 (0.67) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL15031307 0.69 CA1 (0.50) ALDH1A1RAB9ASMN1; SMN2LMNAHPGD
Water SCHEMBL8631908 0.68 ABCB1 (0.65) ALDH1A1MAPTSMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL1702139 0.68 ABCB1 (0.65) ALDH1A1MAPTSMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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