SCHEMBL3677822

SCHEMBL3677822

N#CC(C(=O)O)=C(c1ccccc1)c1ccccc1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
FOLH1 Q04609 1/20 0.37
MAPT P10636 2/20 0.37
XBP1 P17861 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR1 O14842 1/20 0.34
ADRB2 P07550 1/20 0.33
DHODH Q02127 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
CYP19A1 P11511 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL228932 0.85 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL8370214 0.83 ALDH1A1 (0.46) ALDH1A1LMNAMAPK1
SCHEMBL15324514 0.83 ALDH1A1 (0.46) ALDH1A1LMNAMAPK1
SCHEMBL9717132 0.82 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1FOLH1MAPT
Ethylene Glycol SCHEMBL28769259 0.81 ALDH1A1 (0.47) PTPN1ALDH1A1LMNAMAPK1MAPT
SCHEMBL10717858 0.81 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL15861897 0.80 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1FOLH1MAPT
SCHEMBL10601647 0.79 THRB (0.44) ALDH1A1LMNAMAPK1FOLH1MAPT
SCHEMBL2158060 0.78 ALDH1A1 (0.45) ALDH1A1LMNAMAPK1MAPTXBP1
Water SCHEMBL11778081 0.78 ALDH1A1 (0.50) PTPN1ALDH1A1LMNAMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181151-B1 POLYCARBONATE COMPOSITIONS SABIC GLOBAL TECHNOLOGIES BV (NL) 2016-03-16 EP disclosed
US-8759428-B2 Polycarbonate compositions SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2014-06-24 US disclosed
EP-2181151-A1 POLYCARBONATE COMPOSITIONS Sabic Innovative Plastics IP B.V. (NL) 2010-05-05 EP disclosed
US-20090054586-A1 POLYCARBONATE COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 2009-02-26 US disclosed
WO-2009026127-A1 POLYCARBONATE COMPOSITIONS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-02-26 WO disclosed
EP-0003021-A1 Cyano-oligomer compositions and processes thereof GAF CORPORATION (US) 1979-07-25 EP disclosed
US-4128536-A ULTRAVIOLET LIGHT ABSORBERS GAF CORPORATION (US) 1978-12-05 US disclosed