SCHEMBL28084232

SCHEMBL28084232

O=C(O)c1ccccc1C(=O)OCc1ccccc1COC(=O)c1ccccc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.73
L3MBTL1 Q9Y468 3/20 0.58
ALOX15 P16050 1/20 0.54
TSHR P16473 4/20 0.52
TDP1 Q9NUW8 2/20 0.51
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CYP3A4 P08684 3/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
PPARG P37231 1/20 0.47
NPC1 O15118 1/20 0.47
FOLH1 Q04609 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL3628202 0.88 ALDH1A1 (0.63) ALDH1A1L3MBTL1ALOX15TSHRTDP1
SCHEMBL18627888 0.87 ALDH1A1 (0.58) ALDH1A1L3MBTL1ALOX15TSHRTDP1
SCHEMBL1959731 0.86 ALDH1A1 (0.56) ALDH1A1L3MBTL1TSHRTDP1CYP3A4
SCHEMBL226266 0.85 TSHR (0.62) ALDH1A1L3MBTL1TSHRTDP1CASP3
SCHEMBL29687907 0.85 ALDH1A1 (1.00) ALDH1A1L3MBTL1ALOX15TSHRTDP1
SCHEMBL116566 0.85 ALDH1A1 (1.00) ALDH1A1L3MBTL1ALOX15TSHRTDP1
SCHEMBL3628696 0.84 ALDH1A1 (0.58) ALDH1A1L3MBTL1TDP1KDM4ELMNA
SCHEMBL3424984 0.83 ALDH1A1 (0.96) ALDH1A1L3MBTL1ALOX15TSHRTDP1
SCHEMBL9057293 0.83 ALDH1A1 (0.96) ALDH1A1L3MBTL1ALOX15TSHRTDP1
Alcohol SCHEMBL3628198 0.83 ALDH1A1 (0.61) ALDH1A1L3MBTL1TSHRTDP1CYP3A4

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
CN-103415562-B Polymer compositions, methods of making, and articles formed from the compositions 沙特基础全球技术有限公司 2016-08-10 CN disclosed