SCHEMBL9720141

SCHEMBL9720141

O=C(O)c1ccc(-c2ccc(C(c3ccccc3)(c3ccc(-c4ccc(C(=O)O)c(C(=O)O)c4)cc3)C(F)(F)F)cc2)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 4/20 0.47
HNF4A P41235 2/20 0.47
DHFR P00374 1/20 0.47
MCL1 Q07820 1/20 0.47
ACLY P53396 5/20 0.46
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
DCLRE1A Q6PJP8 1/20 0.43
DCLRE1B Q9H816 1/20 0.43
PTPN1 P18031 3/20 0.42
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
PTPN5 P54829 2/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
CDC25B P30305 2/20 0.40
CDC25A P30304 1/20 0.40
ATM Q13315 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
SCHEMBL3475902 0.92 ALDH1A1 (0.45) ACMSDHNF4AACLYRXRARXRB
SCHEMBL29405528 0.92 ALDH1A1 (0.45) ACMSDHNF4AACLYRXRARXRB
SCHEMBL28857381 0.85 ACMSD (0.49) ACMSDHNF4ADHFRMCL1ACLY
SCHEMBL3475906 0.83 HSD17B10 (0.42) ACMSDHNF4AACLYRXRARXRB
SCHEMBL346231 0.82 RXRB (0.46) ACMSDHNF4ADHFRMCL1ACLY
SCHEMBL29459104 0.82 RXRB (0.46) ACMSDHNF4ADHFRMCL1ACLY
SCHEMBL16990744 0.81 KDM4E (0.53) ACLYRXRARXRBHSD17B10ALDH1A1
SCHEMBL29404749 0.81 POLB (0.58) MCL1ALDH1A1PTPN5AKR1C2
SCHEMBL8657209 0.81 POLB (0.58) MCL1ALDH1A1PTPN5AKR1C2
SCHEMBL28722893 0.79 RXRB (0.44) ACMSDHNF4ADHFRMCL1ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991004300-A1 MISCIBLE BLENDS OF POLYBENZIMIDAZOLES AND POLYAMIDE-IMIDES HAVING FLUORINE-CONTAINING LINKING GROUPS HOECHST CELANESE CORPORATION (US) 1991-04-04 WO claimed
EP-0385303-A1 Shaped articles from polyamide-imide polymers having fluorine-containing linking groups HOECHST CELANESE CORPORATION (US) 1990-09-05 EP claimed
EP-0385304-A1 Polyamide-imide polymers having fluorine-containing linking groups HOECHST CELANESE CORPORATION (US) 1990-09-05 EP claimed
US-4923960-A FIBERS, FILMS, SHEETS, MOLDINGS HOECHST CELANESE CORP. (US) 1990-05-08 US claimed
US-5137985-A MISCIBLE BLENDS OF POLYBENZIMIDAZOLES AND POLYAMIDE-IMIDES HAVING FLUORINE-CONTAINING LINKING GROUPS AND PROCESS FOR PREPARATION OF THE BLENDS HOECHST CELANESE CORP. (US) 1992-08-11 US disclosed
WO-1991004300-A1 MISCIBLE BLENDS OF POLYBENZIMIDAZOLES AND POLYAMIDE-IMIDES HAVING FLUORINE-CONTAINING LINKING GROUPS HOECHST CELANESE CORPORATION (US) 1991-04-04 WO disclosed
US-4962183-A HEAT, OXIDATION AND SOLVENT RESISTANCE; MOLDING MATERIALS; MELT PROCESSIBILITY; FIBERS, FILMS AND SHEETS HOECHST CELANESE CORP. (US) 1990-10-09 US disclosed
US-4923960-A FIBERS, FILMS, SHEETS, MOLDINGS HOECHST CELANESE CORP. (US) 1990-05-08 US disclosed