SCHEMBL8514347

SCHEMBL8514347

CCCCCCOC(=O)C(C)=C(N)CCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
NAAA Q02083 1/20 0.47
DGKA P23743 1/20 0.47
HTR2C P28335 1/20 0.46
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CES2 O00748 4/20 0.42
HCAR2 Q8TDS4 1/20 0.41
CES1 P23141 3/20 0.41
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8513464 0.89 ALDH1A1 (0.50) TSHRPRSS1PRSS2PRSS3NAAA
SCHEMBL21814420 0.88 TSHR (0.58) TSHRPRSS1PRSS2PRSS3NAAA
SCHEMBL21814419 0.88 FAAH (0.50) TSHRDGKAALDH1A1CES2CES1
SCHEMBL10009307 0.83 TSHR (0.70) TSHRNAAADGKARAD52NPSR1
SCHEMBL28027148 0.83 TSHR (0.70) TSHRNAAADGKARAD52NPSR1
SCHEMBL10009304 0.83 TSHR (0.70) TSHRNAAADGKARAD52NPSR1
SCHEMBL29220168 0.83 TSHR (0.70) TSHRNAAADGKARAD52NPSR1
SCHEMBL3092077 0.82 TSHR (0.59) TSHRPRSS1PRSS2PRSS3NAAA
SCHEMBL689151 0.82 TSHR (0.59) TSHRPRSS1PRSS2PRSS3NAAA
SCHEMBL9502866 0.82 TSHR (0.59) TSHRPRSS1PRSS2PRSS3NAAA

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
US-8789937-B2 Ink jet recording method and liquid dispersant RICOH COMPANY, LTD. (JP) 2014-07-29 US disclosed
US-8752947-B2 Ink jet recording method and liquid dispersant RICOH COMPANY, LTD. (JP) 2014-06-17 US disclosed
US-20120133703-A1 INK JET RECORDING METHOD AND LIQUID DISPERSANT RICOH COMPANY, LTD. (JP) 2012-05-31 US disclosed
US-20120133702-A1 INK JET RECORDING METHOD AND LIQUID DISPERSANT RICOH COMPANY, LTD. (JP) 2012-05-31 US disclosed