SCHEMBL3473581

SCHEMBL3473581

CC(O)Oc1ccc(C(O)C(C)C)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.38
LMNA P02545 3/20 0.36
TRPA1 O75762 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
TYR P14679 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
RECQL P46063 4/20 0.33
TDP1 Q9NUW8 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL6062324 0.78 LTA4H (0.48) TYRTSHRKMT2A
SCHEMBL3473584 0.77 ADRB2 (0.43) RECQLKMT2A
SCHEMBL28813589 0.74 CYP3A4 (0.43) RECQLTDP1KDM4EMAPTNPC1
SCHEMBL10946202 0.73 NPC1 (0.65) LMNACHRM1SLC6A2ADRA1AMAPT
SCHEMBL8615951 0.72 AKR1C3 (0.44) LMNATDP1KDM4EMAPTTSHR
SCHEMBL30933409 0.72 AKR1C3 (0.44) LMNATDP1KDM4EMAPTTSHR
SCHEMBL6061597 0.72 ESR2 (0.48) LMNASLC6A2TYRRECQLKDM4E
SCHEMBL9307640 0.72 PDE2A (0.41) PDE2ALMNATRPA1CHRM1SLC6A2
SCHEMBL10977168 0.71 PARP10 (0.48) LMNATDP1POLBKMT2APARP10
SCHEMBL17961880 0.71 PARP10 (0.48) LMNATDP1POLBKMT2APARP10

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