SCHEMBL3473585

SCHEMBL3473585

CC(CO)Cc1ccc(OCCO)cc1O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.46
ADRB2 P07550 3/20 0.42
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.39
NR1I2 O75469 1/20 0.38
ADRB1 P08588 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
CA1 P00915 2/20 0.36
MAOA P21397 2/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH2 P05091 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL1071545 0.81 CNR2 (0.41) CNR2ADRB2CYP3A4SMN1; SMN2CNR1
SCHEMBL28960864 0.77 GAA (0.49) CNR2CNR1ALDH1A1RECQLMAOB
SCHEMBL8463072 0.73 MAOB (0.48) CYP3A4MAOAMAOB
SCHEMBL1961805 0.73 ADRB2 (0.54) ADRB2CYP3A4SMN1; SMN2NR1I2ADRB1
SCHEMBL4647002 0.72 NR1I2 (0.46) ADRB2CYP3A4SMN1; SMN2NR1I2ALDH1A1
SCHEMBL9939329 0.72 CNR2 (0.72) CNR2CYP3A4CNR1
SCHEMBL3473584 0.71 ADRB2 (0.43) CNR2ADRB2CYP3A4SMN1; SMN2NR1I2
Glycerin SCHEMBL9616085 0.70 ALDH1A1 (0.58) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL
SCHEMBL4556555 0.69 CNR2 (0.58) CNR2CNR1ALDH1A1
SCHEMBL92209 0.68 NR1I2 (0.46) ADRB2CYP3A4SMN1; SMN2NR1I2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842498-B2 Hydrophobic surface chip BIO-RAD LABORATORIES, INC. (US) 2010-11-30 US disclosed
EP-1451554-A4 HYDROPHOBIC SURFACE CHIP CIPHERGEN BIOSYSTEMS INC (US) 2004-12-15 EP disclosed
EP-1451554-A1 HYDROPHOBIC SURFACE CHIP Ciphergen Biosystems, Inc. (US) 2004-09-01 EP disclosed
US-20030124371-A1 Hydrophobic surface chip CIPHERGEN BIOSYSTEMS, INC. 2003-07-03 US disclosed
WO-2003040700-A1 HYDROPHOBIC SURFACE CHIP CIPHERGEN BIOSYSTEMS, INC. (US) 2003-05-15 WO disclosed