SCHEMBL7944303

SCHEMBL7944303

Cc1c(C(=O)C(=O)O)cccc1C(=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
MYC P01106 2/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
PTGS2 P35354 2/20 0.40
AKR1C3 P42330 2/20 0.40
HIF1A Q16665 2/20 0.40
AKR1B10 O60218 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL8176357 0.89 HSD17B10 (0.50) POLBCYP2C19ALDH1A1HPGDKDM4E
SCHEMBL4631526 0.85 MAPT (0.51) POLBCYP2C19ALDH1A1HPGDKDM4E
SCHEMBL3503824 0.83 CLCN2 (0.44) POLBCYP2C19ALDH1A1HPGDKDM4E
Oxalic Acid SCHEMBL28069123 0.80 TSHR (0.57) POLBCYP2C19ALDH1A1HPGDKDM4E
SCHEMBL27703149 0.79 TSHR (0.61) POLBCYP2C19ALDH1A1HPGDKDM4E
Benzene SCHEMBL27265959 0.79 TSHR (0.61) POLBCYP2C19ALDH1A1HPGDKDM4E
SCHEMBL756585 0.79 TSHR (0.61) POLBCYP2C19ALDH1A1HPGDKDM4E
SCHEMBL1645158 0.78 ALDH1A1 (0.58) POLBCYP2C19ALDH1A1HPGDKDM4E
SCHEMBL9711362 0.78 ERCC5 (0.57) POLBCYP2C19ALDH1A1HPGDKDM4E
SCHEMBL166031 0.78 ERCC5 (0.57) POLBCYP2C19ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6254950-B1 BLEND WITH POLYETHYLENE TEREPHTHALATE AND NAPHTHALATE, POLYBUTYLENE AND POLYTRIMETHYLENE TEREPHTHALATE, AND/OR POLYBUTYLENE NAPHTHALATE; PACKAGING EASTMAN CHEMICAL COMPANY 2001-07-03 US claimed
US-5030705-A Packaging material MITSUBISHI KASEI CORPORATION (JP) 1991-07-09 US claimed
EP-0335594-A2 Copolymerized polymer Mitsubishi Chemical Corporation (JP) 1989-10-04 EP claimed
US-6254950-B1 BLEND WITH POLYETHYLENE TEREPHTHALATE AND NAPHTHALATE, POLYBUTYLENE AND POLYTRIMETHYLENE TEREPHTHALATE, AND/OR POLYBUTYLENE NAPHTHALATE; PACKAGING EASTMAN CHEMICAL COMPANY 2001-07-03 US disclosed
US-5030705-A Packaging material MITSUBISHI KASEI CORPORATION (JP) 1991-07-09 US disclosed
US-4959421-A PHENYLENEBIS/OXYACETIC ACID/ MITSUBISHI KASEI CORPORATION (JP) 1990-09-25 US disclosed
EP-0335594-A2 Copolymerized polymer Mitsubishi Chemical Corporation (JP) 1989-10-04 EP disclosed