SCHEMBL4317690

SCHEMBL4317690

CCCCOc1nc(OCC2CO2)nc(Oc2ccccc2C(=O)OC)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TLR7 Q9NYK1 1/20 0.43
THRB P10828 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
GLA P06280 1/20 0.40
PLA2G2A P14555 1/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL4309017 0.94 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL4312278 0.94 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL4324712 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6216333 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4211931 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4309042 0.79 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL4318924 0.76 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7956581 0.74 MAPT (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4306737 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9384288 0.73 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423372-B1 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS SABIC GLOBAL TECHNOLOGIES BV (NL) 2016-07-20 EP disclosed
US-7547749-B2 Triazine compounds, polymers comprising triazine structural units, and method SABIC INNOVATIVE PLATICS IP B.V. (NL) 2009-06-16 US disclosed
US-20080097040-A1 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND METHOD GENERAL ELECTRIC COMPANY (US) 2008-04-24 US disclosed
US-7235611-B2 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC COMPANY (US) 2007-06-26 US disclosed
US-20050192411-A1 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC CO. 2005-09-01 US disclosed
EP-1423372-A2 TRIAZINE COMPOUNDS, POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS GENERAL ELECTRIC COMPANY (US) 2004-06-02 EP disclosed
US-20030078347-A1 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC COMPANY 2003-04-24 US disclosed
WO-2003024939-A2 TRIAZINE COMPOUNDS POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS GENERAL ELECTRIC COMPANY (US) 2003-03-27 WO disclosed