SCHEMBL714583

SCHEMBL714583

NCCN(CCCO)CCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.41
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CHRM2 P08172 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8087294 0.97 LCK (0.43) LCKALDH1A1TSHRCHRM2LMNA
SCHEMBL11040899 0.95 LCK (0.44) LCKALDH1A1TSHRCHRM2
SCHEMBL7770049 0.92 LCK (0.46) LCKALDH1A1TSHR
SCHEMBL817850 0.92 LCK (0.46) LCKALDH1A1TSHR
SCHEMBL8204150 0.90 LCK (0.44) LCKALDH1A1TSHR
SCHEMBL28508921 0.87 LCK (0.43) LCKALDH1A1TSHR
SCHEMBL28333383 0.87 CHRM2 (0.46) LCKALDH1A1TSHRCHRM2LMNA
SCHEMBL11041212 0.84 CHRM2 (0.42) LCKALDH1A1TSHRCHRM2LMNA
SCHEMBL63378 0.84 CHRM2 (0.42) LCKALDH1A1TSHRCHRM2LMNA
SCHEMBL64537 0.84 CHRM2 (0.42) LCKALDH1A1TSHRCHRM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948182-A4 METHOD FOR TREATING NEURONAL AND NON-NEURONAL PAIN ZHUO MIN (CA) 2009-08-19 EP claimed
EP-1948182-A1 METHOD FOR TREATING NEURONAL AND NON-NEURONAL PAIN ZHUO, Min (CA) 2008-07-30 EP claimed
WO-2007041863-A1 METHOD FOR TREATING NEURONAL AND NON-NEURONAL PAIN ZHUO MIN (CA) 2007-04-19 WO claimed
US-8124599-B2 Method for treating neuronal and non-neuronal pain FOREVER CHEER INTERNATIONAL LIMITED (HK) 2012-02-28 US disclosed