SCHEMBL3802276

SCHEMBL3802276

CCCCCCCCCCCCCCCCCCC[N+](O)(O)CC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.55
DNM1 Q05193 8/20 0.55
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC22A2 O15244 1/20 0.50
HSP90AA1 P07900 1/20 0.50
RAD52 P43351 1/20 0.50

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
SCHEMBL27735926 1.00 SLC22A1 (0.55) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL76226 1.00 SLC22A1 (0.55) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL6727148 1.00 SLC22A1 (0.55) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL10820897 1.00 SLC22A1 (0.55) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL8558471 1.00 SLC22A1 (0.55) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL9575954 1.00 SLC22A1 (0.55) SLC22A1DNM1ALDH1A1TP53CYP3A4
SCHEMBL11034134 1.00 SLC22A1 (0.55) SLC22A1DNM1ALDH1A1TP53CYP3A4
Hydrochloric Acid SCHEMBL9575626 0.97 SLC22A1 (0.52) SLC22A1DNM1ALDH1A1TP53CYP3A4
Hydrochloric Acid SCHEMBL1775534 0.97 SLC22A1 (0.52) SLC22A1DNM1ALDH1A1TP53CYP3A4
Bromide SCHEMBL556740 0.97 ALDH1A1 (0.57) SLC22A1DNM1ALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104302750-B The improvement related with fabric conditioner 荷兰联合利华有限公司 2018-06-19 CN disclosed
CN-104302750-A Improvements relating to fabric conditioners UNILEVER NV 2015-01-21 CN disclosed
CN-101258231-B Fabric conditioning composition UNILEVER NV 2011-09-28 CN disclosed
US-20090054559-A1 POLYLACTIC ACID RESIN COMPOSITION AND MOLDED ARTICLE NEC CORPORATION (JP) 2009-02-26 US disclosed
CN-101258231-A Fabric conditioning composition UNILEVER PLC (NL) 2008-09-03 CN disclosed