SCHEMBL28032982

SCHEMBL28032982

CCCCCCCCCC(=N)N.O=S(=O)(O)CCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.62
SPHK1 Q9NYA1 1/20 0.62
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
BRCA1 P38398 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
PKM P14618 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 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
SCHEMBL21802163 1.00 SPHK2 (0.62) SPHK2SPHK1ALDH1A1LMNAPOLB
SCHEMBL20298428 0.98 SPHK2 (0.59) SPHK2SPHK1ALDH1A1LMNAPOLB
SCHEMBL27585249 0.98 SPHK2 (0.59) SPHK2SPHK1ALDH1A1LMNAPOLB
SCHEMBL31038604 0.93 SPHK2 (0.50) SPHK2SPHK1ALDH1A1LMNAPOLB
SCHEMBL27689668 0.84 SOAT1 (0.48) ALDH1A1ALOX15KDM4EMEN1KMT2A
Octane SCHEMBL1843443 0.83 LMNA (0.50) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
Dodecane SCHEMBL28288842 0.83 LMNA (0.50) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
Decane SCHEMBL27812031 0.83 LMNA (0.50) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
Hexane SCHEMBL27317543 0.81 SMN1; SMN2 (0.48) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL31289294 0.79 LMNA (0.42) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2

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
CN-104968340-A USES AND METHODS FOR THE TREATMENT OF LIVER DISEASES OR CONDITIONS ONCOZYME PHARMA INC 2015-10-07 CN disclosed