SCHEMBL13586540

SCHEMBL13586540

CCCC(O)C1CCC(c2ccc(/C=C/c3ccc(-c4ccc(OCC)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 4/20 0.33
▸ HMOX1 P09601 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ ESR1 P03372 2/20 0.31
▸ AHR P35869 1/20 0.31
▸ CAMKK1 Q8N5S9 1/20 0.31
▸ CAMKK2 Q96RR4 1/20 0.31
▸ FFAR1 O14842 2/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 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
SCHEMBL13586597 0.93 FFAR4 (0.33) FFAR4HMOX1KDM4EMEN1NPC1
SCHEMBL12823056 0.92 HDAC8 (0.31) FFAR4
SCHEMBL12821286 0.91 PTGS2 (0.36) FFAR4HMOX1KDM4EMEN1NPC1
SCHEMBL12822652 0.91 FFAR4 (0.30) FFAR4
SCHEMBL12822494 0.88 ESR1 (0.32) ESR1
SCHEMBL12718697 0.87 FPR2 (0.30) —
SCHEMBL12734523 0.86 HMOX1 (0.36) FFAR4HMOX1KDM4EMEN1NPC1
SCHEMBL12734525 0.86 HMOX1 (0.35) FFAR4HMOX1KDM4EMEN1NPC1
SCHEMBL12734509 0.85 HMOX1 (0.35) FFAR4HMOX1KDM4EMEN1NPC1
SCHEMBL12718744 0.85 HDAC8 (0.31) —

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-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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