SCHEMBL2813306

SCHEMBL2813306

C=C(C)C(=O)NC(CCC)C(C(=O)O)N(CC(=O)O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
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
NOD1 Q9Y239 1/20 0.30

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
SCHEMBL8185990 0.73 TGFBR1 (0.67) TGFBR1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL8185993 0.73 TGFBR1 (0.67) TGFBR1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1635161 0.71 TGFBR1 (0.46) TGFBR1
SCHEMBL10578470 0.69 TGFBR1 (0.40) TGFBR1
SCHEMBL2810489 0.69 TGFBR1 (0.41) TGFBR1
SCHEMBL5891374 0.68 TGFBR1 (0.69) TGFBR1
SCHEMBL346814 0.68 TGFBR1 (0.69) TGFBR1
SCHEMBL8187236 0.67 TGFBR1 (0.62) TGFBR1HDAC2NOD1
SCHEMBL5940625 0.67 TGFBR1 (0.62) TGFBR1HDAC2NOD1
SCHEMBL1826412 0.67 TGFBR1 (0.47) TGFBR1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100248389-A1 ELECTROCHEMICAL DEPOSITION OF POLYMERS ON METAL SUBSTRATES UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-09-30 US disclosed
WO-2009039485-A1 ELECTROCHEMICAL DEPOSITION OF POLYMERS ON METAL SUBSTRATES UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-03-26 WO disclosed