SCHEMBL2899451

SCHEMBL2899451

O=C(Cc1cc(-c2ccccc2)cc(OCc2ccccc2)c1C(F)(F)F)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.38
PTPN6 P29350 3/20 0.38
PTPN2 P17706 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PDE4B Q07343 1/20 0.37
CFD P00746 2/20 0.37
F11 P03951 2/20 0.37
KLKB1 P03952 2/20 0.37
HDAC1 Q13547 2/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
NAAA Q02083 2/20 0.36
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
FAAH O00519 2/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL27814597 0.83 PTPN1 (0.38) PTPN1PTPN6PTPN2RXRARXRB
SCHEMBL27829096 0.80 PTPN1 (0.36) PTPN1PTPN6PTPN2RXRARXRB
SCHEMBL10077745 0.80 NAAA (0.48) PDE4BHDAC1NAAAFAAH
SCHEMBL10077744 0.80 NAAA (0.48) PDE4BHDAC1NAAAFAAH
SCHEMBL8038238 0.79 PSEN1 (0.46) PTPN1PTPN6PTPN2RXRARXRB
SCHEMBL477862 0.79 PSEN1 (0.46) PTPN1PTPN6PTPN2RXRARXRB
SCHEMBL10077777 0.79 PSEN1 (0.46) PTPN1PTPN6PTPN2RXRARXRB
SCHEMBL19999725 0.79 NAAA (0.42) PDE4BCFDF11KLKB1PTGER1
SCHEMBL2904877 0.78 CSNK2B (0.36) PTPN1PTPN6PTPN2RXRARXRB
SCHEMBL20006910 0.78 PDE4B (0.44) PDE4BCSNK2BCSNK2A1FAAH

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-2212287-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
EP-2209764-A1 GSM INTERMEDIATES Janssen Pharmaceutica, N.V. (BE) 2010-07-28 EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
WO-2009052341-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
EP-2016039-A1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE Ortho-Mcneil Pharmaceutical, Inc. (US) 2009-01-21 EP disclosed
WO-2007124351-A1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-11-01 WO disclosed