SCHEMBL8187156

SCHEMBL8187156

O=C(O)c1cc(-c2cc(C(=O)O)c(C(=O)O)cc2C(F)(F)F)c(C(F)(F)F)cc1C(=O)O.O=C1OC(=O)c2cc(F)c3cc2C(=O)OC(=O)c2cc-3c(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.41
▸ ASPH Q12797 1/20 0.35
▸ SORT1 Q99523 3/20 0.34
▸ CA12 O43570 4/20 0.34
▸ CA7 P43166 4/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA4 P22748 2/20 0.34
▸ TYMS P04818 1/20 0.34
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ KMO O15229 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ FABP4 P15090 1/20 0.31
▸ PDE3B Q13370 1/20 0.31

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
SCHEMBL714364 0.79 ASPH (0.48) CFTRASPHSORT1KMO
SCHEMBL30851191 0.76 ALOX15 (0.39) CFTRTYMSKMO
SCHEMBL17915436 0.76 ALOX15 (0.39) CFTRTYMSKMO
SCHEMBL540750 0.76 TYMS (0.50) CA12CA7CA1CA4TYMS
SCHEMBL3871135 0.70 ASPH (0.47) ASPHSORT1KMO
SCHEMBL9150718 0.70 CFTR (0.41) CFTRASPHSORT1
SCHEMBL1099458 0.70 KEAP1 (0.48) ASPHCA1AKR1C3AKR1C2MEN1
SCHEMBL15920412 0.70 ASPH (0.53) CFTRASPHSORT1
SCHEMBL22070109 0.68 ALOX15 (0.42) TYMSKMO
Ether SCHEMBL9150711 0.68 CFTR (0.40) CFTRASPHSORT1AKR1C3AKR1C2

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
EP-0698052-B1 NEGATIVE BIREFRINGENT POLYIMIDE FILMS UNIV AKRON (US) 2000-06-14 — — EP claimed
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