SCHEMBL5050686

SCHEMBL5050686

CCNC(CCCO)(CCCO)CCCO

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 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
SCHEMBL5052100 0.95 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL5050617 0.90 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL5056994 0.83
SCHEMBL5058749 0.74 KCNN4 (0.30)
SCHEMBL638854 0.74 TSHR (0.42) TSHR
SCHEMBL2349676 0.71 ALDH1A1 (0.31) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL30776074 0.70 SMN1; SMN2 (0.36) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL11435014 0.70 ALDH1A1 (0.39) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
Hydrochloric Acid SCHEMBL11429411 0.69
SCHEMBL1451631 0.69 SMN1; SMN2 (0.33) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1

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
US-7315042-B2 Semiconductors containing trans-1,2-bis(acenyl)ethylene compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-01 US disclosed
WO-2006055085-A1 SEMICONDUCTORS CONTAINING TRANS-1,2-BIS(ACENYL)ETHYLENE COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-05-26 WO disclosed
US-20060102893-A1 Semiconductors containing trans-1,2-bis(acenyl)ethylene compoounds 3M INNOVATIVE PROPERTIES COMPANY 2006-05-18 US disclosed