SCHEMBL7108842

SCHEMBL7108842

CCCC[N+](CCCl)(CCCC)CCCC

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC22A1 O15245 3/20 0.71
▸ SLC22A2 O15244 1/20 0.61
▸ TSHR P16473 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ DNM1 Q05193 5/20 0.50
▸ TDP1 Q9NUW8 1/20 0.47
▸ PLA2G1B P04054 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42

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
SCHEMBL11514997 0.95 SLC22A1 (0.68) SLC22A1SLC22A2TSHRALDH1A1TP53
Bromide SCHEMBL9787432 0.92 ALDH1A1 (0.70) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL6659742 0.88 SLC22A1 (0.71) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL28487535 0.88 SLC22A1 (0.71) SLC22A1SLC22A2TSHRALDH1A1TP53
SCHEMBL7113899 0.88 SLC22A1 (0.71) SLC22A1SLC22A2TSHRALDH1A1TP53
SCHEMBL8893291 0.86 SLC22A1 (0.67) SLC22A1SLC22A2TSHRALDH1A1TP53
Hydrochloric Acid SCHEMBL10380753 0.86 SLC22A1 (0.67) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL28338553 0.85 SLC22A1 (0.75) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL7536172 0.85 SLC22A1 (0.75) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL6545372 0.85 SLC22A1 (0.75) SLC22A1SLC22A2TSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928809-B1 POLYSACCHARIDE DERIVATIVE/MAGNETIC METAL OXIDE COMPOSITE MEITO SANGYO KK (JP) 2003-10-22 — — EP disclosed
US-6165378-A Polysaccharide derivative/magnetic metal oxide composite MEITO SANGYO KABUSHIKI KAISHA (JP) 2000-12-26 — — US disclosed
EP-0928809-A1 POLYSACCHARIDE DERIVATIVE/MAGNETIC METAL OXIDE COMPOSITE MEITO SANGYO KABUSHIKI KAISHA (JP) 1999-07-14 — — EP disclosed
Send feedback