SCHEMBL500617

SCHEMBL500617

O=C(O)CC(CC1CO1)N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP7 Q9UHL4 1/20 0.34
REN P00797 1/20 0.33
ACE P12821 1/20 0.33
CYP1A2 P05177 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL499885 0.74 NPSR1 (0.61) NPSR1L3MBTL1MAPK1CYP2C9HPGD
SCHEMBL10566713 0.73 SLC6A3 (0.48) NPSR1L3MBTL1DPP7CYP1A2MAPK1
SCHEMBL10025245 0.71 SLC6A3 (0.49) NPSR1L3MBTL1DPP7RENACE
SCHEMBL500155 0.69 DPP7 (0.35) DPP7RENACECYP1A2MAPK1
SCHEMBL2066730 0.69 SLC22A6 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL2066729 0.69 SLC22A6 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL14346068 0.69 SLC22A6 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6035097 0.69 SLC22A6 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL500098 0.68 ALDH1A1 (0.39) NPSR1L3MBTL1DPP7CYP1A2MAPK1
SCHEMBL8570633 0.67 BHMT (0.37) RENACECYP1A2CYP2C9CYP2C19

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-8105760-B2 Patterning process and pattern surface coating composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20090053657-A1 PATTERNING PROCESS AND PATTERN SURFACE COATING COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-02-26 US disclosed