SCHEMBL14907456

SCHEMBL14907456

C=CC(=O)OCCCOc1ccc(C(=O)OC2CCC(C3CCC(CCC)CC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 4/20 0.42
PTPN6 P29350 2/20 0.42
PTPN11 Q06124 2/20 0.42
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
PTPN1 P18031 3/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL16133502 1.00 PTPN2 (0.42) PTPN2PTPN6PTPN11HPGDTSHR
SCHEMBL16425384 0.98 PTPN2 (0.41) PTPN2PTPN6PTPN11HPGDTSHR
SCHEMBL12087289 0.97 PTPN2 (0.43) PTPN2PTPN6PTPN11HPGDTSHR
SCHEMBL19844216 0.97 PTPN2 (0.44) PTPN2PTPN6PTPN11HPGDTSHR
SCHEMBL14907459 0.94 TSHR (0.41) PTPN2PTPN6PTPN11HPGDTSHR
SCHEMBL12284999 0.94 PTPN2 (0.45) PTPN2PTPN6PTPN11HPGDTSHR
SCHEMBL16425378 0.92 TSHR (0.41) PTPN2PTPN6PTPN11HPGDTSHR
SCHEMBL12567819 0.92 TSHR (0.41) PTPN2HPGDTSHRPTPN1THRB
SCHEMBL10534921 0.90 THRB (0.42) PTPN2HPGDTSHRPTPN1THRB
SCHEMBL12567692 0.90 CYP2C9 (0.37) PTPN2PTPN1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 US disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
WO-2013060406-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-05-02 WO disclosed