SCHEMBL6383301

SCHEMBL6383301

CCC(CC(C)C(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
ACE2 Q9BYF1 1/20 0.35
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
ENPEP Q07075 2/20 0.33
BLM P54132 1/20 0.33
TP53 P04637 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL30018524 0.81 CHRM1 (0.33) CYP1A2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3896850 0.81 GRM2 (0.36) CYP1A2TDP1
SCHEMBL7624691 0.79 GRM2 (0.35) CYP1A2
SCHEMBL28320676 0.77 MAPT (0.31)
SCHEMBL8259112 0.76 TSHR (0.39) GABRR1CYP1A2ACE2FOLH1NAALAD2
Tetramethylammonium Ion SCHEMBL10910954 0.76 GRM2 (0.33)
SCHEMBL10047547 0.74 GABRR1 (0.39) GABRR1CYP1A2ACE2FOLH1NAALAD2
SCHEMBL2629341 0.74 GABRR1 (0.39) GABRR1CYP1A2ACE2FOLH1NAALAD2
SCHEMBL23244985 0.74 MAPT (0.30) CYP1A2
SCHEMBL8867369 0.74 LCK (0.30) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1367077-B1 CURABLE COMPOSITION ASAHI CHEMICAL IND (JP) 2005-09-07 EP disclosed
US-20040059085-A1 Curable composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2004-03-25 US disclosed
CN-1484662-A Curable composition ������������ʽ���� 2004-03-24 CN disclosed
EP-1367077-A1 CURABLE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2003-12-03 EP disclosed