SCHEMBL9328825

SCHEMBL9328825

COc1ccc(CC(=O)OC(=O)C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
HTT P42858 1/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
GAA P10253 1/20 0.50
KLK7 P49862 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ELANE P08246 1/20 0.49
CTBP2 P56545 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 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
SCHEMBL3231393 0.86 HTT (0.63) KMT2AHTTALDH1A1CYP3A4CYP2C19
SCHEMBL7562503 0.85 KMT2A (0.52) KMT2AHTTALDH1A1CYP3A4CYP2C19
SCHEMBL6261030 0.81 TSHR (0.53) KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3231401 0.81 KMT2A (0.58) KMT2AHTTALDH1A1CYP3A4CYP2C19
SCHEMBL31613156 0.79 ALDH1A1 (0.64) KMT2AHTTALDH1A1CYP3A4CYP2C19
SCHEMBL4644036 0.79 KMT2A (0.56) KMT2AHTTALDH1A1CYP3A4CYP2C19
SCHEMBL7387748 0.79 HTT (0.56) KMT2AHTTALDH1A1CYP3A4CYP2C19
SCHEMBL13012117 0.79 HTT (0.59) KMT2AHTTALDH1A1CYP3A4CYP2C19
SCHEMBL10052143 0.79 ELANE (0.40) KMT2AALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL313139 0.78 HTT (0.69) KMT2AHTTALDH1A1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1290648-A None JP disclosed
EP-0349676-B1 Tylosin derivatives and process for producing the same MERCIAN CORP (JP) 1994-03-16 EP disclosed
US-4933439-A Tylosin derivatives and processes for producing the same SANRAKU INCORPORATED (JP) 1990-06-12 US disclosed
JP-H01290648-A P-METHOXYPHENYLACETIC ACID PIVALIC ACID ANHYDRIDE SANRAKU INC 1989-11-22 JP disclosed