SCHEMBL19988147

SCHEMBL19988147

C#COc1ccc(OCCOP(=O)(O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 2/20 0.42
PKM P14618 2/20 0.41
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 4/20 0.35
S1PR4 O95977 3/20 0.35
S1PR5 Q9H228 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.34
PRSS1 P07477 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PARP10 Q53GL7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PNPO Q9NVS9 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
SCHEMBL15323698 0.86 INPPL1 (0.53) INPPL1PKMS1PR1S1PR3S1PR4
SCHEMBL16566552 0.80 INPPL1 (0.49) INPPL1PKMS1PR1S1PR3S1PR4
SCHEMBL15323933 0.79 ALDH1A1 (0.50) INPPL1PKMS1PR1S1PR3S1PR4
SCHEMBL11440679 0.77 FDPS (0.48) INPPL1PKMALDH1A1CYP2C19MEN1
SCHEMBL13988111 0.77 L3MBTL1 (0.53) INPPL1PKMALDH1A1MEN1KMT2A
SCHEMBL427191 0.77 PKM (0.67) PKMMAPTALDH1A1CYP2C9CYP2C19
SCHEMBL7124847 0.75 PKM (0.65) PKMMAPTALDH1A1CYP2C9CYP2C19
SCHEMBL18493756 0.75 INPPL1 (0.44) INPPL1PKMS1PR1S1PR3S1PR4
SCHEMBL13478198 0.75 SMN1; SMN2 (0.53) INPPL1PKMS1PR1S1PR3S1PR4
SCHEMBL18493757 0.75 INPPL1 (0.44) INPPL1PKMS1PR1S1PR3S1PR4

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
EP-2836529-B1 POLYCONDENSATION PRODUCT BASED ON AROMATIC COMPOUNDS, METHOD FOR THE PREPARATION AND USE THEROF CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2018-03-28 EP claimed