SCHEMBL500327

SCHEMBL500327

COC(C)C(CN1CCOCC1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
NPC1 O15118 1/20 0.45
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ANPEP P15144 1/20 0.39

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
SCHEMBL499878 0.88 ALDH1A1 (0.55) ALDH1A1NPC1LMNAUSP2L3MBTL1
SCHEMBL500091 0.75 ALDH1A1 (0.96) ALDH1A1NPC1LMNAUSP2L3MBTL1
SCHEMBL23205826 0.75 USP2 (0.50) ALDH1A1NPC1USP2L3MBTL1SMN1; SMN2
SCHEMBL12125079 0.75 USP2 (0.50) ALDH1A1NPC1USP2L3MBTL1SMN1; SMN2
SCHEMBL27899777 0.74 ALDH1A1 (0.93) ALDH1A1NPC1LMNAUSP2L3MBTL1
SCHEMBL5718300 0.73 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1SMN1; SMN2HSD17B10
SCHEMBL1816293 0.71 ALDH1A1 (0.64) ALDH1A1NPC1LMNAUSP2L3MBTL1
SCHEMBL11604652 0.71 ALDH1A1 (0.63) ALDH1A1NPC1LMNAUSP2SMN1; SMN2
SCHEMBL22699107 0.71 CYP3A4 (0.50) ALDH1A1LMNAL3MBTL1SMN1; SMN2HSD17B10
SCHEMBL500328 0.70 ALDH1A1 (0.53) ALDH1A1NPC1LMNAUSP2L3MBTL1

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