SCHEMBL14062722

SCHEMBL14062722

Cc1ccc(-c2ccc(OCOCC3CO3)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ GLA P06280 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PTPN1 P18031 1/20 0.33
▸ GRM2 Q14416 4/20 0.32
▸ MAPK1 P28482 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
SCHEMBL14062986 0.93 TDP1 (0.44) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL14062581 0.91 ALDH1A1 (0.50) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL14062994 0.83 TDP1 (0.56) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL14063038 0.80 ALDH1A1 (0.42) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL14063012 0.80 TDP1 (0.40) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL14063008 0.80 TDP1 (0.53) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL14062949 0.80 TDP1 (0.53) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL14063004 0.79 ALDH1A1 (0.41) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL14062876 0.79 — —
SCHEMBL14062669 0.79 ALDH1A1 (0.47) TSHRALDH1A1TP53MAPTHPGD

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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