Sugi Predict

Sugi Predict / Compounds / SCHEMBL14415079

SCHEMBL14415079

SCHEMBL14415079

C=CC(=O)OCCCCOc1ccc(CO/C=C/C(=O)Oc2cc3c4cc(OC(=O)/C=C/OCc5ccc(OCCCCOC(=O)C=C)cc5)c(OC(=O)/C=C/OCc5ccc(OCCCCOC(=O)C=C)cc5)cc4c4cc(OC(=O)/C=C/OCc5ccc(OCCCCOC(=O)C=C)cc5)c(OC(=O)/C=C/OCc5ccc(OCCCCOC(=O)C=C)cc5)cc4c3cc2OC(=O)/C=C/OCc2ccc(OCCCCOC(=O)C=C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14415077 0.85 HDAC10 (0.42) ALDH1A1KDM4E
SCHEMBL8680303 0.84 THRB (0.50) THRBALDH1A1TSHRCYP3A4HPGD
SCHEMBL14415076 0.84 TSHR (0.49) THRBALDH1A1TSHRCYP3A4HPGD
SCHEMBL14282673 0.82 THRB (0.46) THRBALDH1A1TSHRCYP3A4HPGD
SCHEMBL710505 0.80 THRB (0.49) THRBALDH1A1TSHRCYP3A4HPGD
SCHEMBL14282672 0.80 THRB (0.46) THRBALDH1A1TSHRCYP3A4HPGD
SCHEMBL1068298 0.79 HTT (0.48) THRBALDH1A1TSHRCYP3A4HPGD
SCHEMBL8090334 0.76 HTT (0.45) THRBALDH1A1TSHRCYP3A4HPGD
SCHEMBL14282669 0.76 THRB (0.53) THRBALDH1A1TSHRCYP3A4HPGD
SCHEMBL14282676 0.76 THRB (0.44) THRBALDH1A1TSHRCYP3A4HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273641-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2007-09-25 — — US disclosed
US-7273641-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2007-09-25 — — US disclosed
Send feedback