SCHEMBL4590567

SCHEMBL4590567

C=Cc1ccc2cc(C(=O)OC)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.53
ALDH1A1 P00352 3/20 0.51
LCK P06239 1/20 0.50
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
PTPN1 P18031 1/20 0.46
HTT P42858 3/20 0.45
ALOX15 P16050 2/20 0.45
HGFAC Q04756 1/20 0.45
PLAU P00749 1/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44

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
SCHEMBL28039361 0.94 PTPN11 (0.48) PTPN11ALDH1A1LCKCA1CA2
SCHEMBL4501007 0.85 ALDH1A1 (0.68) PTPN11ALDH1A1LCKCA1CA2
Methyl Benzoate SCHEMBL31438173 0.84 TSHR (0.56) ALDH1A1CA1CA2HTTALOX15
SCHEMBL11898841 0.84 KDM4E (0.39) PTPN11ALDH1A1LCKALOX15MAPT
SCHEMBL69025 0.84 PTPN11 (0.68) PTPN11ALDH1A1LCKCA1CA2
SCHEMBL29365729 0.84 PTPN11 (0.68) PTPN11ALDH1A1LCKCA1CA2
SCHEMBL16329467 0.83 CA12 (0.51) PTPN11ALDH1A1CA1CA2CA12
SCHEMBL11899850 0.83 KDM4E (0.38) PTPN11ALDH1A1LCKCYP19A1CYP11B1
SCHEMBL181754 0.82 ALDH1A1 (0.68) ALDH1A1CA1CA2CA12CA7
SCHEMBL8732524 0.82 PTPN11 (0.66) PTPN11ALDH1A1LCKCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
EP-1386904-B1 Acenaphthylene derivative, polymer, and antireflection film-forming composition JSR CORP (JP) 2008-09-17 EP disclosed
US-7037994-B2 Acenaphthylene derivative, polymer, and antireflection film-forming composition JSR CORPORATION (JP) 2006-05-02 US disclosed
US-20040034155-A1 Acenaphthylene derivative, polymer, and antireflection film-forming composition JSR CORPORATION (JP) 2004-02-19 US disclosed
EP-1386904-A1 Acenaphthylene derivative, polymer, and antireflection film-forming composition JSR Corporation (JP) 2004-02-04 EP disclosed