SCHEMBL7516204

SCHEMBL7516204

O=C(Oc1ccccc1)C1c2ccccc2Oc2ccc(O)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
ATM Q13315 2/20 0.47
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 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
SCHEMBL7551854 0.92 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19L3MBTL1ATM
SCHEMBL12724363 0.89 CYP1A2 (0.73) CYP1A2CYP2C9CYP2C19L3MBTL1ATM
SCHEMBL38665307 0.89 CYP1A2 (0.73) CYP1A2CYP2C9CYP2C19L3MBTL1ATM
SCHEMBL7521188 0.83 ATM (0.53) CYP2C9L3MBTL1ATMHDAC3HDAC4
SCHEMBL7506342 0.74 ATM (0.53) CYP2C9ATMHDAC3HDAC4HDAC1
SCHEMBL7496889 0.74 HDAC4 (0.46) CYP1A2CYP2C9CYP2C19L3MBTL1HDAC4
SCHEMBL8499177 0.72 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19L3MBTL1ATM
SCHEMBL6264755 0.71 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19L3MBTL1ATM
SCHEMBL12724361 0.71 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19L3MBTL1ATM
SCHEMBL27497314 0.70 GAA (0.49) CYP1A2CYP2C9CYP2C19L3MBTL1HDAC3

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
EP-1119554-A4 XANTHAN-ESTER AND ACRIDAN SUBSTRATES FOR HORSERADISH PEROXIDASE TROPIX INC (US) 2002-05-08 EP disclosed
EP-1119554-A1 XANTHAN-ESTER AND ACRIDAN SUBSTRATES FOR HORSERADISH PEROXIDASE TROPIX, INC. (US) 2001-08-01 EP disclosed
US-6162610-A Xanthan-ester and acridan substrates for horseradish peroxidase TROPIX, INC. (US) 2000-12-19 US disclosed
WO-2000015618-A1 XANTHAN-ESTER AND ACRIDAN SUBSTRATES FOR HORSERADISH PEROXIDASE TROPIX, INC. (US) 2000-03-23 WO disclosed