SCHEMBL27410068

SCHEMBL27410068

CCc1ccc(-c2c(F)cc(-c3ccc(OC4CC4)cc3)cc2F)s1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NAAA Q02083 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ CTSK P43235 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ APP P05067 3/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ GRIN2B Q13224 3/20 0.32
▸ KHK P50053 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ MOGAT2 Q3SYC2 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ GGPS1 O95749 1/20 0.30
▸ FDPS P14324 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL27410163 0.95 MEN1 (0.40) MEN1KMT2ANAAAFFAR4CTSK
SCHEMBL27410164 0.95 MEN1 (0.42) MEN1KMT2ANAAAFFAR4CTSK
SCHEMBL27410311 0.82 APP (0.42) MEN1KMT2ANAAAFFAR4CTSK
SCHEMBL26481784 0.81 CTSK (0.35) CTSKCTSCGRIN2B
SCHEMBL26481791 0.79 CTSK (0.35) FFAR4CTSKCTSCGRIN2B
SCHEMBL26481790 0.79 CYP3A4 (0.35) KMT2ACTSKCTSCAPPGRIN2B
SCHEMBL26481787 0.79 CTSK (0.34) CTSKCTSCAPPGRIN2BCYP2C9
SCHEMBL224331 0.79 GRIN2B (0.34) MEN1KMT2ACTSKCTSCGRIN2B
SCHEMBL26565787 0.77 CTSK (0.35) CTSKCTSCGRIN2B
SCHEMBL26481792 0.77 CTSK (0.35) CTSKCTSCGRIN2B

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
WO-2024126567-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-20 — — WO disclosed
Send feedback