SCHEMBL7120293

SCHEMBL7120293

OC(CCCC(O)Oc1ccccc1)COc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CYP2D6 P10635 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
RECQL P46063 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL28808609 0.83 LMNA (0.52) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL9762995 0.82 KCNA3 (0.56) LMNAL3MBTL1RECQLALDH1A1
SCHEMBL6407078 0.81 LMNA (0.53) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL10960143 0.80 LMNA (0.61) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL10806132 0.79 LMNA (0.52) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL7804281 0.79 LMNA (0.56) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL9763097 0.79 KCNA3 (0.57) LMNAL3MBTL1RECQLALDH1A1
SCHEMBL11216361 0.79 LMNA (0.52) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL1496573 0.79 LMNA (0.56) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL267463 0.78 LMNA (0.68) LMNACYP2D6L3MBTL1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225804-B1 LOW-TEMPERATURE-STABLE PRESERVATIVES AIR LIQUIDE SANTE INT (FR) 2003-11-12 EP claimed