SCHEMBL14063033

SCHEMBL14063033

Fc1cc(OCOc2ccc(CC3CO3)cc2)ccc1-c1ccc(CC2CO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.41
▸ NR1H4 Q96RI1 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ FFAR4 Q5NUL3 6/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ S1PR1 P21453 3/20 0.34
▸ S1PR3 Q99500 3/20 0.34
▸ F10 P00742 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ FFAR1 O14842 1/20 0.33

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
SCHEMBL14063029 0.86 ALDH1A1 (0.50) GRM2ALDH1A1TP53CYP3A4TSHR
SCHEMBL14063038 0.85 ALDH1A1 (0.42) GRM2ALDH1A1TP53CYP3A4TSHR
SCHEMBL14063027 0.83 TDP1 (0.42) GRM2ALDH1A1TP53CYP3A4TSHR
SCHEMBL14062995 0.82 GRM2 (0.39) GRM2HTR2A
SCHEMBL14063004 0.82 ALDH1A1 (0.41) GRM2ALDH1A1TP53CYP3A4TSHR
SCHEMBL14063024 0.81 FFAR1 (0.36) NR1H4FFAR4S1PR1TDP1FFAR1
SCHEMBL14063013 0.80 CHKA (0.38) GRM2CYP3A4HTR2A
SCHEMBL14062918 0.80 MAOB (0.40) GRM2NR1H4FFAR4F10MAOB
SCHEMBL14063011 0.80 ALDH1A1 (0.51) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL14063012 0.77 TDP1 (0.40) GRM2ALDH1A1TP53CYP3A4TSHR

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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