SCHEMBL14063170

SCHEMBL14063170

Fc1cc(-c2ccc(C3CCC(OCOCC4CO4)CC3)cc2)ccc1-c1ccc(OCOCC2CO2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 4/20 0.35
▸ CYP3A4 P08684 3/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ APP P05067 2/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ NR1H4 Q96RI1 1/20 0.30
▸ TP53 P04637 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ TSHR P16473 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 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
SCHEMBL14063157 0.90 CYP3A4 (0.35) FFAR4CYP3A4CYP2C9APPCYP2D6
SCHEMBL14063173 0.89 ALDH1A1 (0.39) FFAR4CYP3A4CYP2C9APPCYP2D6
SCHEMBL14063046 0.88 TDP1 (0.38) CYP3A4CYP2C9TDP1TP53MAPT
SCHEMBL14062838 0.86 HCRTR2 (0.34) —
SCHEMBL14063012 0.86 TDP1 (0.40) FFAR4CYP3A4TDP1TP53MAPT
SCHEMBL14063148 0.85 TDP1 (0.35) CYP3A4CYP2C9TDP1TP53MAPT
SCHEMBL14062947 0.85 TDP1 (0.41) CYP3A4CYP2C9TDP1TP53MAPT
SCHEMBL14063168 0.84 HCRTR2 (0.33) FFAR4CYP3A4TP53TSHRALDH1A1
SCHEMBL14062879 0.84 — —
SCHEMBL14062895 0.83 HCRTR2 (0.33) —

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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