SCHEMBL7942990

SCHEMBL7942990

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.54
PTGS2 P35354 3/20 0.49
PTGS1 P23219 2/20 0.49
GRM1 Q13255 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
MYC P01106 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ELANE P08246 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
PTPN1 P18031 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 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
SCHEMBL1356407 0.85 ACE2 (0.67) ACE2PTGS2GRM1TDP1KMT2A
SCHEMBL4577143 0.83 ACE2 (0.56) ACE2PTGS2GRM1TDP1KMT2A
SCHEMBL16115781 0.83 ACE2 (0.56) ACE2PTGS2GRM1TDP1KMT2A
SCHEMBL8373539 0.81 ACE2 (0.49) ACE2PTGS2GRM1TDP1KMT2A
SCHEMBL9246941 0.80 ACE2 (0.53) ACE2PTGS2GRM1TDP1KMT2A
SCHEMBL6049245 0.79 ACE2 (0.47) ACE2PTGS2GRM1TDP1KMT2A
SCHEMBL1356395 0.79 ACE2 (0.54) ACE2GRM1TDP1KMT2AMEN1
SCHEMBL27729860 0.79 ACE2 (0.50) ACE2PTGS2GRM1TDP1KMT2A
SCHEMBL8054469 0.77 ACE2 (0.50) ACE2PTGS2GRM1TDP1KMT2A
SCHEMBL8382167 0.77 ACE2 (0.49) ACE2PTGS2GRM1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6312822-B1 AS POLAR ADDITIVES POLYMERIC ESTERS, OLIGOMERIC ESTERS, POLYAMIDES, FATTY ACIDS AMIDES OF ALIPHATIC AMINES AND DIAMINES, COPOLYMERS OF POLY(ETHYLENE-COACRYLIC ACID), OR ESTERS OF POLY(ALKYLENE GLYCOLS) EASTMAN CHEM CO (US) 2001-11-06 US claimed
EP-0052927-B1 STRETCHED FILM STRUCTURE OF THE POLY-1,3-PHENYLENE TEREPHTHALATE TYPE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-01-07 EP disclosed
US-4390683-A Stretched film structure of the poly-1,3-phenylene terephthalate type MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1983-06-28 US disclosed