SCHEMBL8054469

SCHEMBL8054469

C=CC(C)c1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.50
ELANE P08246 1/20 0.45
MYC P01106 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GRM1 Q13255 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NEU3 Q9UQ49 1/20 0.37
PTPN1 P18031 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 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
SCHEMBL10828136 0.83 PTGS2 (0.48) ACE2ELANEMYCKDM4EGRM1
SCHEMBL17912492 0.83 CA12 (0.47) ACE2ELANEMYCTDP1KMT2A
SCHEMBL257251 0.82 KDM4E (0.42) ACE2ELANEMYCKDM4EKMT2A
SCHEMBL788898 0.81 ACE2 (0.44) ACE2MYCKDM4EGRM1TDP1
SCHEMBL1356407 0.80 ACE2 (0.67) ACE2MYCKDM4EGRM1TDP1
SCHEMBL4577143 0.79 ACE2 (0.56) ACE2MYCKDM4EGRM1TDP1
SCHEMBL16115781 0.79 ACE2 (0.56) ACE2MYCKDM4EGRM1TDP1
SCHEMBL9635367 0.79 ACE2 (0.42) ACE2ELANEKDM4EGRM1TDP1
SCHEMBL10828169 0.78 ELANE (0.60) ELANEKDM4EKMT2AALDH1A1CA12
SCHEMBL7942990 0.77 ACE2 (0.54) ACE2ELANEMYCKDM4EGRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6020101-A CORE OF FIRST RESIN AND COLORANT, SHELL OF SECOND RESIN XEROX CORPORATION (US) 2000-02-01 US disclosed