SCHEMBL15570719

SCHEMBL15570719

C=CC(O)C(CO)(CO)CCCCC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.33
PTGS1 P23219 1/20 0.33
PPARG P37231 1/20 0.33
OPRK1 P41145 1/20 0.33
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GGPS1 O95749 2/20 0.31
FDPS P14324 1/20 0.31
CACNA2D1 P54289 1/20 0.30
CACNB2 Q08289 1/20 0.30
CACNA1C Q13936 1/20 0.30
LMNA P02545 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP3A4 P08684 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL31417821 0.86
SCHEMBL27322169 0.76 DPP4 (0.33) TSHR
SCHEMBL24726826 0.76 ABCG2 (0.34) ABCG2PTGS1PPARGOPRK1TSHR
SCHEMBL27821470 0.75 GGPS1 (0.43) TSHRGGPS1FDPSLMNAMEN1
SCHEMBL27144573 0.73 SMN1; SMN2 (0.38) TSHRSMN1; SMN2GGPS1FDPSLMNA
SCHEMBL9230795 0.72 SMN1; SMN2 (0.33) TSHRSMN1; SMN2GGPS1FDPSLMNA
SCHEMBL16601030 0.72 TSHR (0.31) ABCG2PTGS1PPARGOPRK1TSHR
SCHEMBL11703599 0.71 FDPS (0.38) GGPS1FDPS
SCHEMBL8030677 0.71 LMNA (0.36) TSHRGGPS1FDPSLMNAMEN1
SCHEMBL8029079 0.71 SMN1; SMN2 (0.32) TSHRSMN1; SMN2GGPS1FDPSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150111978-A1 METHOD OF FORMING DUAL CURABLE POLYMER COMPOSITIONS NIPSEA TECHNOLOGIES PTE LTD (SG) 2015-04-23 US disclosed
WO-2014031084-A1 A METHOD OF FORMING DUAL CURABLE POLYMER COMPOSITIONS NIPSEA TECHNOLOGIES PTE LTD (SG) 2014-02-27 WO disclosed