SCHEMBL27410163

SCHEMBL27410163

CCc1ccc(-c2c(F)cc(-c3ccc(OC4CCC4)cc3)cc2F)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ APP P05067 1/20 0.36
▸ FFAR4 Q5NUL3 9/20 0.34
▸ SLC5A2 P31639 1/20 0.34
▸ F2RL3 Q96RI0 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.32
▸ FDPS P14324 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 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
SCHEMBL27410164 0.98 MEN1 (0.42) MEN1KMT2AAPPFFAR4SLC5A2
SCHEMBL27410068 0.95 MEN1 (0.37) MEN1KMT2AAPPFFAR4PTGS1
SCHEMBL27410311 0.87 APP (0.42) MEN1KMT2AAPPFFAR4F2RL3
SCHEMBL26481787 0.82 CTSK (0.34) APPSLC5A2PTGS1PTGS2CTSK
SCHEMBL26481792 0.80 CTSK (0.35) CTSKCTSCGRIN2B
SCHEMBL26481790 0.80 CYP3A4 (0.35) KMT2AAPPSLC5A2PTGS1PTGS2
SCHEMBL26481784 0.79 CTSK (0.35) SLC5A2CTSKCTSCGRIN2B
SCHEMBL26565787 0.78 CTSK (0.35) CTSKCTSCGRIN2B
SCHEMBL26481791 0.77 CTSK (0.35) FFAR4SLC5A2CTSKCTSCGRIN2B
SCHEMBL224331 0.77 GRIN2B (0.34) MEN1KMT2APTGS2CTSKCTSC

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
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