SCHEMBL28080648

SCHEMBL28080648

COc1c(C(=O)O)c(CBr)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
CYP2C19 P33261 1/20 0.47
CDC25B P30305 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ERN1 O75460 1/20 0.43
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
CTSD P07339 1/20 0.40

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
SCHEMBL27699813 0.89 KDM4E (0.45) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL11030727 0.88 KDM4E (0.50) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL977064 0.85 KDM4E (0.42) HPGDKDM4EALDH1A1CDC25BNPSR1
SCHEMBL9250273 0.82 MEN1 (0.61) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL3117234 0.79 HPGD (0.55) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL8817413 0.79 KDM4E (0.53) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL7616763 0.79 KDM4E (0.54) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL27699816 0.79 HPGD (0.46) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL4788676 0.77 KDM4E (0.50) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL9978498 0.75 KMT2A (0.43) HPGDKDM4EALDH1A1HSD17B10MEN1

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