SCHEMBL6201030

SCHEMBL6201030

O=C(CC(c1ccccc1)c1ccccc1O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.57
MGAM O43451 4/20 0.56
GAA P10253 4/20 0.56
SI P14410 4/20 0.56
MGAM2 Q2M2H8 4/20 0.56
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C9 P11712 2/20 0.49
CYP3A4 P08684 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.47

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
SCHEMBL28743174 0.84 HPGD (0.62) HPGDGAALMNANPSR1ALDH1A1
SCHEMBL6200667 0.83 TSHR (0.63) HPGDMGAMGAASIMGAM2
SCHEMBL1754732 0.74 KMT2A (0.71) HPGDLMNAL3MBTL1NPSR1ALDH1A1
SCHEMBL27895847 0.74 MGAM (0.62) HPGDMGAMGAASIMGAM2
SCHEMBL1238318 0.74 TSHR (0.63) HPGDLMNAALDH1A1KDM4ECRHBP
SCHEMBL9326756 0.74 HPGD (0.50) HPGDLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL8436216 0.74 L3MBTL1 (0.71) HPGDGAALMNAL3MBTL1NPSR1
SCHEMBL28963600 0.74 HPGD (0.50) HPGDLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL9066674 0.74 ATM (0.74) HPGDLMNAL3MBTL1NPSR1ALDH1A1
SCHEMBL6201780 0.73 LMNA (0.65) HPGDMGAMGAASIMGAM2

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed