SCHEMBL11289574

SCHEMBL11289574

CCCCCC[N+]([O-])(CCCC)CCCC

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.62
SLC22A1 O15245 3/20 0.58
DNM1 Q05193 8/20 0.57
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 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
SLC22A2 O15244 1/20 0.53
HTT P42858 1/20 0.52

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
SCHEMBL11404294 1.00 LSS (0.62) LSSSLC22A1DNM1ALDH1A1TP53
SCHEMBL7925913 1.00 LSS (0.62) LSSSLC22A1DNM1ALDH1A1TP53
SCHEMBL11680179 1.00 LSS (0.62) LSSSLC22A1DNM1ALDH1A1TP53
SCHEMBL81531 1.00 LSS (0.62) LSSSLC22A1DNM1ALDH1A1TP53
SCHEMBL6322988 1.00 LSS (0.62) LSSSLC22A1DNM1ALDH1A1TP53
SCHEMBL80274 1.00 LSS (0.62) LSSSLC22A1DNM1ALDH1A1TP53
SCHEMBL31289076 0.97 LSS (0.65) LSSSLC22A1DNM1ALDH1A1TP53
SCHEMBL31289084 0.97 LSS (0.65) LSSSLC22A1DNM1ALDH1A1TP53
SCHEMBL8022994 0.97 LSS (0.65) LSSSLC22A1DNM1ALDH1A1TP53
SCHEMBL989863 0.97 LSS (0.65) LSSSLC22A1DNM1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309510-A POLYVINYL ALCOHOL AND AN ALIPHATIC AMINE OXIDE FOR SIZING POLYESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-05 US disclosed