SCHEMBL14062607

SCHEMBL14062607

Fc1ccc(C2CCC(OCC3CO3)CC2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 9/20 0.45
▸ USP5 P45974 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CCR2 P41597 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ ADRA1A P35348 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ SCD5 Q86SK9 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
SCHEMBL14062780 0.96 HCRTR2 (0.43) HCRTR2USP5HDAC6CCR2ALDH1A1
SCHEMBL14062787 0.89 HCRTR2 (0.38) HCRTR2USP5ALDH1A1TP53CYP3A4
SCHEMBL14062604 0.89 HCRTR2 (0.40) HCRTR2USP5HDAC6ALDH1A1TP53
SCHEMBL14062801 0.87 HCRTR2 (0.37) HCRTR2USP5HDAC6CCR2ALDH1A1
SCHEMBL14062887 0.86 HCRTR2 (0.37) HCRTR2USP5HDAC6
SCHEMBL14062779 0.86 HCRTR2 (0.39) HCRTR2USP5HDAC6TSHR
SCHEMBL14063160 0.85 CYP3A4 (0.37) HCRTR2ALDH1A1TP53CYP3A4TSHR
SCHEMBL14062593 0.85 HCRTR2 (0.38) HCRTR2
SCHEMBL14062574 0.84 HCRTR2 (0.42) HCRTR2USP5ALDH1A1HTR2ATDP1
SCHEMBL14062804 0.83 HCRTR2 (0.34) HCRTR2USP5ALDH1A1TP53CYP3A4

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
US-7425354-B2 Photopolymerizable liquid crystal composition, its polymer or polymer composition, and optical compensation element CHISSO CORPORATION (JP) 2008-09-16 — — US disclosed
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