SCHEMBL9505714

SCHEMBL9505714

O=C(O)c1ccc(C(c2ccc3c(c2)C(=O)OC3=O)(C(F)(F)F)C(F)(F)F)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.42
CA12 O43570 5/20 0.41
CA7 P43166 5/20 0.41
CA1 P00915 4/20 0.41
CA4 P22748 2/20 0.41
CA2 P00918 2/20 0.39
CA9 Q16790 1/20 0.39
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SORT1 Q99523 7/20 0.36
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.34
CYP2C19 P33261 1/20 0.34
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CYP2C8 P10632 1/20 0.33

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
SCHEMBL24788969 0.92 TYMS (0.39) TYMSCA12CA7CA1CA4
SCHEMBL25955781 0.89 CA12 (0.44) TYMSCA12CA7CA1CA4
SCHEMBL15887766 0.89 CA12 (0.41) TYMSCA12CA7CA1CA4
SCHEMBL25955780 0.88 CA12 (0.41) TYMSCA12CA7CA1CA4
SCHEMBL13382715 0.87 TYMS (0.39) TYMSCA12CA7CA1CA4
SCHEMBL14412566 0.87 CA12 (0.38) TYMSCA12CA7CA1CA4
SCHEMBL49774 0.85 ALOX15 (0.43) TYMSCA12CA7CA1CA4
SCHEMBL25955785 0.84 CA12 (0.42) CA12CA7CA1CA4CA2
Benzoic Acid SCHEMBL28332838 0.84 CA12 (0.42) CA12CA7CA1CA4CA2
SCHEMBL109108 0.83 HSD17B10 (0.50) HSD17B10KDM4EALDH1A1HPGDSORT1

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
EP-0337001-B1 POLYIMIDE GAS SEPARATION MEMBRANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-04 EP disclosed
US-4838900-A Polyimide gas separation membranes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-13 US disclosed
EP-0303774-A2 Highly soluble clear polyimides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-22 EP disclosed