SCHEMBL9737639

SCHEMBL9737639

O=CC(F)(F)[C@H](OOC(=O)OCc1ccccc1)[C@H](O)COOC(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.37
PTPRC P08575 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HCAR2 Q8TDS4 1/20 0.35
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
MGLL Q99685 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9770003 1.00 PTPN1 (0.37) PTPN1PTPRCALDH1A1HCAR2KMT2A
SCHEMBL9736749 0.81 CA1 (0.35) PTPN1PTPRCKMT2AMAPK1TSHR
SCHEMBL9735971 0.81 CA1 (0.35) PTPN1PTPRCKMT2AMAPK1TSHR
SCHEMBL9737400 0.77 CA1 (0.38) PTPN1KMT2AMAPK1TSHRSMN1; SMN2
SCHEMBL9737641 0.77 CA1 (0.38) PTPN1KMT2AMAPK1TSHRSMN1; SMN2
SCHEMBL10769664 0.71 HTR2A (0.42) ALDH1A1MAPTRAB9A
SCHEMBL9065651 0.69 ALDH1A1 (0.57) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL454115 0.68 ALDH1A1 (0.63) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL6686180 0.66 ALDH1A1 (0.59) ALDH1A1KMT2AMAPK1SLC6A2SLC6A3
SCHEMBL29327549 0.66 ALDH1A1 (0.52) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1

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
US-5118820-A Carbohydrate is chemical intermediate for nucleoside ELI LILLY AND COMPANY (US) 1992-06-02 US disclosed
US-5015743-A 2-Deoxy-2,2-difluororibose ELI LILLY AND COMPANY (US) 1991-05-14 US disclosed
US-4808614-A Difluoro antivirals and intermediate therefor ELI LILLY AND COMPANY (US) 1989-02-28 US disclosed
EP-0122707-B1 IMPROVEMENTS IN OR RELATING TO NOVEL DIFLUORO ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1987-09-16 EP disclosed
US-4692434-A NUCLEOSIDES ELI LILLY AND COMPANY (US) 1987-09-08 US disclosed
EP-0211354-A2 Nucleosides and their use as antineoplastic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1987-02-25 EP disclosed
US-4526988-A Hydrolyzing alkyl 3-dioxolanyl-2,2-difluoro-3-hydroxy propionate ELI LILLY AND COMPANY (US) 1985-07-02 US disclosed
EP-0122707-A1 Improvements in or relating to novel difluoro antiviral agents ELI LILLY AND COMPANY (US) 1984-10-24 EP disclosed