SCHEMBL28046652

SCHEMBL28046652

CC1(C(=O)O)C=C(c2ccccc2F)C=C(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GPR35 Q9HC97 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HCAR2 Q8TDS4 3/20 0.34
ACMSD Q8TDX5 1/20 0.34
TTR P02766 1/20 0.34
DHODH Q02127 4/20 0.33
HCAR3 P49019 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
KIF11 P52732 1/20 0.32
DHFR P00374 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
RXRA P19793 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
WRN Q14191 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
SCHEMBL28185681 0.90 HCAR2 (0.34) CA1CA2GPR35HCAR2TTR
SCHEMBL27775494 0.84 RARB (0.31) RARBRARGRXRA
SCHEMBL27770636 0.82 NAPRT (0.39) DHODH
SCHEMBL27558474 0.80 HCAR3 (0.33) HCAR2TTRHCAR3
SCHEMBL28123303 0.79 RXRA (0.33) RARBRXRA
SCHEMBL28853255 0.79 TSHR (0.36) DHODH
SCHEMBL27899605 0.79 FOLH1 (0.31)
SCHEMBL27371651 0.78 BCL2L1 (0.38) GPR35HCAR2HCAR3RARBRARG
SCHEMBL28056804 0.76 CA1 (0.39) CA1CA2GPR35HCAR2KDM4E
SCHEMBL27459534 0.75

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
CN-107854434-A Include poly- (ε caprolactones) and polyoxyethylated pharmaceutical dosage form 普渡制药公司 2018-03-30 CN disclosed
CN-105294653-B The preparation technology of Vonoprazan fumarate 山东罗欣药业集团股份有限公司 2017-08-15 CN disclosed
CN-105294653-A Preparation technology for vonoprazan fumarate SHANDONG LUOXIN PHARMACEUTICAL GROUP CO LTD 2016-02-03 CN disclosed