SCHEMBL28080644

SCHEMBL28080644

CCCCOC(=O)Oc1cccc(CCC(=O)Oc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
AKR1C3 P42330 1/20 0.46
P2RY10 O00398 1/20 0.46
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
KLK7 P49862 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP2D6 P10635 1/20 0.42

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
SCHEMBL23996159 0.85 KMT2A (0.57) KMT2APPARGPPARATDP1
SCHEMBL16394794 0.83 PPARA (0.55) PPARGPPARALMNA
SCHEMBL730122 0.82 TSHR (0.56) LMNAL3MBTL1TDP1
SCHEMBL27800285 0.80 TSHR (0.54) LMNAL3MBTL1TDP1
SCHEMBL28040668 0.79 KMT2A (0.56) KMT2AHPGDTDP1
SCHEMBL27680586 0.79 KMT2A (0.51) KMT2AAKR1C3PPARGPPARAHPGD
SCHEMBL17473114 0.78 LMNA (0.53) KMT2AHPGDLMNASMN1; SMN2L3MBTL1
SCHEMBL244512 0.78 PPARA (0.67) PPARGPPARA
SCHEMBL29993795 0.78 PPARA (0.67) PPARGPPARA
SCHEMBL14151440 0.78 KMT2A (0.64) KMT2APPARGPPARAHPGDLMNA

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-103224474-B The synthesis of tetracycline and the like 哈佛大学校长及研究员协会 2016-08-03 CN disclosed