SCHEMBL14062787

SCHEMBL14062787

Fc1ccc(-c2ccc(C3CCC(OCC4CO4)CC3)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 4/20 0.38
▸ NAAA Q02083 1/20 0.33
▸ CYP17A1 P05093 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ USP5 P45974 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ SOAT1 P35610 1/20 0.31
▸ P2RY14 Q15391 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL14062887 0.96 HCRTR2 (0.37) HCRTR2NAAACYP17A1CYP11B1CYP11B2
SCHEMBL14062838 0.90 HCRTR2 (0.34) HCRTR2NAAA
SCHEMBL14063176 0.90 HCRTR2 (0.37) HCRTR2NAAAALDH1A1TP53CYP3A4
SCHEMBL14062796 0.90 HCRTR2 (0.32) HCRTR2NAAAALDH1A1TP53CYP3A4
SCHEMBL14062607 0.89 HCRTR2 (0.45) HCRTR2USP5ALDH1A1TP53CYP3A4
SCHEMBL14062895 0.87 HCRTR2 (0.33) HCRTR2
SCHEMBL14062803 0.87 HCRTR2 (0.40) HCRTR2NAAAUSP5MGLL
SCHEMBL14062923 0.87 HCRTR2 (0.37) HCRTR2USP5ALDH1A1SMN1; SMN2P2RY14
SCHEMBL14062780 0.86 HCRTR2 (0.43) HCRTR2USP5ALDH1A1TP53CYP3A4
SCHEMBL14063173 0.84 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2

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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