SCHEMBL11028136

SCHEMBL11028136

CCCCCCCCCCCCCCCCC(C#N)(CO)CO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 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
GGPS1 O95749 6/20 0.38
TNNC1 P63316 5/20 0.37
S1PR1 P21453 2/20 0.37
SGPL1 O95470 1/20 0.37
S1PR4 O95977 1/20 0.37
GPR183 P32249 1/20 0.37
CERS2 Q96G23 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
FDPS P14324 8/20 0.36
CES2 O00748 1/20 0.35

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
SCHEMBL28725545 0.86 TSHR (0.35) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL695768 0.86 TSHR (0.42) TSHRGGPS1FDPSCES2
SCHEMBL8764175 0.82 TSHR (0.38) TSHRGGPS1FDPSCES2
SCHEMBL12808397 0.80 TSHR (0.36) TSHRGGPS1FDPSCES2
SCHEMBL13696917 0.78 TSHR (0.35) TSHRGGPS1FDPSCES2
SCHEMBL25729202 0.77 TSHR (0.46) MEN1KMT2ATSHRGGPS1FDPS
SCHEMBL7616020 0.76 TSHR (0.41) LMNAALDH1A1TSHRFDPS
SCHEMBL7877972 0.74 SMN1; SMN2 (0.35) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28081146 0.74 TSHR (0.39) LMNATSHRFDPS
SCHEMBL11282752 0.74 LMNA (0.34) LMNAALDH1A1HSD17B10MEN1KMT2A

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
US-4356128-A WETTING AGENT FOR PIGMENTS IN POLYURETHANE COATING COMPOSITIONS HENKEL CORPORATION (US) 1982-10-26 US claimed
EP-0063944-B1 POLYHYDRIC ALCOHOLS HENKEL CORPORATION (a Delaware corp.) (US) 1985-07-10 EP disclosed
EP-0063944-A1 Polyhydric alcohols HENKEL CORPORATION (a Delaware corp.) (US) 1982-11-03 EP disclosed
US-4356128-A WETTING AGENT FOR PIGMENTS IN POLYURETHANE COATING COMPOSITIONS HENKEL CORPORATION (US) 1982-10-26 US disclosed