SCHEMBL4744800

SCHEMBL4744800

O=C(O)C[C@@H](O)COc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.57
ADRB2 P07550 2/20 0.57
ADRB1 P08588 2/20 0.57
ADRB3 P13945 2/20 0.57
LMNA P02545 2/20 0.55
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 3/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RECQL P46063 1/20 0.50
MMP12 P39900 2/20 0.49
MMP13 P45452 1/20 0.49

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
SCHEMBL666863 1.00 CYP2D6 (0.57) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL4560021 0.91 CYP2D6 (0.53) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL4394718 0.84 FFAR1 (0.49) LMNAMAPTTSHRSMN1; SMN2
SCHEMBL7611725 0.84 ALDH1A1 (0.59) LMNAKDM4EMAPTTSHRHTT
SCHEMBL267463 0.83 LMNA (0.68) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL3673166 0.82 CYP2D6 (0.55) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL27526634 0.82 LMNA (0.49) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL183191 0.82 LMNA (0.49) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL3673164 0.82 CYP2D6 (0.55) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL4653976 0.82 USP2 (0.51) ADRB2ADRB1TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008113190-A1 METHOD FOR THE PRODUCTION OF R-HYDROXYCARBOXYLIC ACIDS EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) 2008-09-25 WO claimed
EP-1036190-B1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES CHIROBIO INC (KR) 2005-05-11 EP claimed
US-6472188-B1 SYNTHESIZING AND ACCUMULATING POLYHYDROXYALKANOATES (PHA) IN A CELL OF A MICROORGANISM BY CULTURING THE MICROORGANISM HAVING POLYHYDROXYALKANOATE DEPOLYMERASE ACTIVITY, COLLECTING CULTURED POLYMER, SUBJECTING TO MICROBIAL ENZYME DEGRADATION CHIROBIO INC. (KR) 2002-10-29 US claimed
EP-1036190-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES ChiroBio Inc. (KR) 2000-09-20 EP claimed
WO-1999029889-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES LG CHEMICAL LTD. (KR) 1999-06-17 WO claimed
WO-2008113190-A1 METHOD FOR THE PRODUCTION OF R-HYDROXYCARBOXYLIC ACIDS EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) 2008-09-25 WO disclosed
EP-1036190-B1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES CHIROBIO INC (KR) 2005-05-11 EP disclosed
US-6472188-B1 SYNTHESIZING AND ACCUMULATING POLYHYDROXYALKANOATES (PHA) IN A CELL OF A MICROORGANISM BY CULTURING THE MICROORGANISM HAVING POLYHYDROXYALKANOATE DEPOLYMERASE ACTIVITY, COLLECTING CULTURED POLYMER, SUBJECTING TO MICROBIAL ENZYME DEGRADATION CHIROBIO INC. (KR) 2002-10-29 US disclosed
EP-1036190-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES ChiroBio Inc. (KR) 2000-09-20 EP disclosed
WO-1999029889-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES LG CHEMICAL LTD. (KR) 1999-06-17 WO disclosed