SCHEMBL13654018

SCHEMBL13654018

CCOc1ccc(C2CCC(C#Cc3ccc(C(C)O)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 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
SCHEMBL12994863 0.90 HTR2A (0.33) —
SCHEMBL13586526 0.89 S1PR1 (0.30) S1PR1
SCHEMBL13654010 0.89 — —
SCHEMBL13654012 0.89 — —
SCHEMBL12223403 0.88 TP53 (0.34) —
SCHEMBL10303398 0.88 TP53 (0.34) —
SCHEMBL13654118 0.86 KDM1A (0.41) —
SCHEMBL12733996 0.85 S1PR1 (0.31) S1PR1
SCHEMBL12994708 0.85 FPR2 (0.34) —
SCHEMBL12733992 0.85 S1PR1 (0.31) S1PR1

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-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 — — WO disclosed
Send feedback