SCHEMBL7007282

SCHEMBL7007282

O=C(c1ccc(OC(O)O)cc1)C(O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
CES2 O00748 3/20 0.67
CES1 P23141 3/20 0.67
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
SRD5A2 P31213 2/20 0.49
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
HPGD P15428 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
SCHEMBL29116440 0.85 LMNA (0.66) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL6836823 0.84 LMNA (0.69) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL29262742 0.83 LMNA (0.67) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL812736 0.83 LMNA (0.67) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL10794860 0.81 LMNA (0.65) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL901258 0.81 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL5833429 0.81 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL2025536 0.81 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL145 0.81 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL10665271 0.81 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032568-A4 PROCESS FOR THE PREPARATION OF ISOFLAVONES UNIV MICHIGAN STATE (US) 2003-03-05 EP claimed
EP-1032568-A1 PROCESS FOR THE PREPARATION OF ISOFLAVONES MICHIGAN STATE UNIVERSITY (US) 2000-09-06 EP claimed
WO-2000015627-A1 PROCESS FOR THE PREPARATION OF ISOFLAVONES MICHIGAN STATE UNIVERSITY (US) 2000-03-23 WO claimed