SCHEMBL13586403

SCHEMBL13586403

C=Cc1ccc(-c2ccc(-c3ccc(COc4ccc(C5CO5)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 3/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.32
▸ KDM1A O60341 2/20 0.31
▸ S1PR1 P21453 2/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 1/20 0.30
▸ RXRG P48443 1/20 0.30
▸ PRMT5 O14744 1/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NR3C2 P08235 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
SCHEMBL12716905 0.94 FEN1 (0.32) FFAR4KDM4ENPC1ALDH1A1MAPT
SCHEMBL12823911 0.88 FFAR4 (0.35) S1PR5FFAR4KDM1AS1PR1ERN1
SCHEMBL12907056 0.88 S1PR5 (0.34) S1PR5FFAR4S1PR1ERN1RXRA
SCHEMBL13586401 0.86 KDM1A (0.38) S1PR5FFAR4KDM1AS1PR1KDM4E
SCHEMBL13586398 0.84 FFAR1 (0.40) ALDH1A1MAPTSMN1; SMN2
SCHEMBL12822533 0.84 FFAR4 (0.39) S1PR5FFAR4KDM1AS1PR1S1PR4
SCHEMBL12823291 0.84 ALOX5AP (0.32) FFAR4
SCHEMBL12822782 0.84 ALOX5AP (0.32) FFAR4
SCHEMBL13586409 0.84 S1PR5 (0.35) S1PR5FFAR4KDM1AS1PR1ERN1
SCHEMBL13586433 0.83 SLC6A2 (0.33) S1PR5PRMT5

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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