SCHEMBL9422185

SCHEMBL9422185

CCCCCCCCCCCC[N+](CC)(CC)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.46
SLC22A1 O15245 1/20 0.46
HTT P42858 2/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSP90AA1 P07900 1/20 0.43
RAD52 P43351 1/20 0.43

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
Hydrochloric Acid SCHEMBL27669818 0.98 DNM1 (0.44) DNM1SLC22A1HTTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL27688872 0.98 DNM1 (0.44) DNM1SLC22A1HTTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL27669821 0.98 DNM1 (0.44) DNM1SLC22A1HTTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL28132449 0.98 DNM1 (0.44) DNM1SLC22A1HTTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL27688874 0.98 DNM1 (0.44) DNM1SLC22A1HTTKMT2AALDH1A1
SCHEMBL7717157 0.95 DNM1 (0.46) DNM1SLC22A1HTTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL27866739 0.93 DNM1 (0.44) DNM1SLC22A1HTTKMT2AALDH1A1
SCHEMBL7153884 0.91 SLC22A1 (0.50) DNM1SLC22A1HTTALDH1A1TP53
SCHEMBL9278588 0.91 SLC22A1 (0.50) DNM1SLC22A1HTTALDH1A1TP53
Hydrochloric Acid SCHEMBL4892695 0.88 DNM1 (0.48) DNM1SLC22A1HTTALDH1A1TP53

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
EP-0408017-B1 DELIVERY SYSTEMS FOR QUATERNARY AND RELATED COMPOUNDS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1993-09-29 EP claimed
EP-0408017-A2 Delivery systems for quaternary and related compounds UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1991-01-16 EP claimed
US-5300494-A Delivery systems for quaternary and related compounds UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1994-04-05 US disclosed
EP-0408017-B1 DELIVERY SYSTEMS FOR QUATERNARY AND RELATED COMPOUNDS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1993-09-29 EP disclosed
EP-0408017-A2 Delivery systems for quaternary and related compounds UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1991-01-16 EP disclosed