SCHEMBL3473584

SCHEMBL3473584

CC(C)C(O)c1ccc(OCCO)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.43
NR1I2 O75469 1/20 0.39
ADRB1 P08588 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
CARM1 Q86X55 1/20 0.37
ALDH2 P05091 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 1/20 0.36
CNR2 P34972 2/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL3473581 0.77 PDE2A (0.38) RECQLKMT2A
SCHEMBL8226478 0.74 CARM1 (0.44) NR1I2ALDH1A1RECQLCA12CA1
SCHEMBL1961805 0.74 ADRB2 (0.54) ADRB2NR1I2ADRB1ALDH1A1RECQL
SCHEMBL6062324 0.73 LTA4H (0.48) ALDH1A1MEN1KMT2A
SCHEMBL4647002 0.73 NR1I2 (0.46) ADRB2NR1I2ALDH1A1RECQLCA12
SCHEMBL18488070 0.71 FFAR1 (0.44) ADRB2NR1I2ADRB1CYP2C9CYP2C19
SCHEMBL3473585 0.71 CNR2 (0.46) ADRB2NR1I2ADRB1ALDH1A1RECQL
SCHEMBL8463072 0.71 MAOB (0.48) MAOAMAOBCYP3A4MEN1KMT2A
SCHEMBL13895734 0.70 RECQL (0.48) NR1I2CYP2C9CYP2C19ALDH1A1RECQL
SCHEMBL13895738 0.70 NR1I2 (0.44) NR1I2ALDH1A1RECQLCA12CA1

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