SCHEMBL4331703

SCHEMBL4331703

COc1ccc(CC(OC(C)C)C(=O)O)cc1COC(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
PPARA Q07869 5/20 0.41
MMP1 P03956 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 3/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
OPRK1 P41145 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PPARG P37231 4/20 0.39
PPARD Q03181 2/20 0.39
HPGD P15428 3/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL4335802 0.91 SMN1; SMN2 (0.43) PPARAMEN1KMT2AGAASMN1; SMN2
SCHEMBL4332405 0.91 SMN1; SMN2 (0.43) PPARAMEN1KMT2AGAASMN1; SMN2
SCHEMBL4328087 0.89 KMT2A (0.44) PPARAMMP1MEN1KMT2AL3MBTL1
SCHEMBL4488496 0.89 PPARA (0.41) PPARAMEN1KMT2AGAASMN1; SMN2
SCHEMBL4336515 0.89 LDHA (0.48) ADRB2PPARAMEN1KMT2AL3MBTL1
SCHEMBL4337170 0.88 MMP1 (0.44) PPARAMMP1MEN1KMT2AGAA
SCHEMBL4340668 0.86 OPRK1 (0.48) PPARAMEN1KMT2AGAASMN1; SMN2
SCHEMBL6686370 0.86 SMN1; SMN2 (0.43) ADRB2MEN1KMT2AL3MBTL1GAA
SCHEMBL13810388 0.85 ADRB2 (0.45) ADRB2MEN1KMT2AL3MBTL1GAA
SCHEMBL4341704 0.84 GAA (0.49) PPARAMMP1MEN1KMT2AL3MBTL1

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
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed