SCHEMBL13586401

SCHEMBL13586401

CCc1ccc(-c2ccc(-c3ccc(COc4ccc(C5CO5)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.38
▸ S1PR5 Q9H228 2/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CSF1R P07333 9/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ S1PR1 P21453 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
SCHEMBL12822221 0.94 FFAR4 (0.34) KDM1AFFAR4CSF1RKDM4ENPC1
SCHEMBL12822533 0.91 FFAR4 (0.39) KDM1AS1PR5FFAR4KDM4ENPC1
SCHEMBL13586398 0.89 FFAR1 (0.40) CSF1RALDH1A1MAPTSMN1; SMN2
SCHEMBL12823911 0.86 FFAR4 (0.35) KDM1AS1PR5FFAR4ALDH1A1MAPT
SCHEMBL13586409 0.86 S1PR5 (0.35) KDM1AS1PR5FFAR4KDM4ENPC1
SCHEMBL13586403 0.86 S1PR5 (0.34) KDM1AS1PR5FFAR4KDM4ENPC1
SCHEMBL13653995 0.86 S1PR5 (0.38) KDM1AS1PR5FFAR4S1PR1
SCHEMBL12822535 0.85 S1PR5 (0.35) KDM1AS1PR5FFAR4CSF1RKDM4E
SCHEMBL12821316 0.85 FFAR4 (0.37) KDM1AFFAR4KDM4ENPC1ALDH1A1
SCHEMBL13586371 0.84 SLC6A2 (0.34) KDM1AS1PR5

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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