SCHEMBL499884

SCHEMBL499884

O=C(O)C(CC1CCCO1)CN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 7/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
HIF1A Q16665 1/20 0.41
USP2 O75604 2/20 0.39
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL11604652 0.78 ALDH1A1 (0.63) ALDH1A1NPSR1KDM4ELMNAMAPT
SCHEMBL2397125 0.75 USP2 (0.42) ALDH1A1KDM4ELMNAHTTUSP2
SCHEMBL2399882 0.75 USP2 (0.42) ALDH1A1KDM4ELMNAHTTUSP2
SCHEMBL1716814 0.75 USP2 (0.42) ALDH1A1KDM4ELMNAHTTUSP2
SCHEMBL4438745 0.75 CPN1 (0.47) ALDH1A1PKMLMNAHTTUSP2
SCHEMBL28610035 0.75 USP2 (0.42) ALDH1A1NPSR1PKMKDM4ELMNA
SCHEMBL500616 0.74 ALDH1A1 (0.41) ALDH1A1PKMKDM4EMAPTHTT
SCHEMBL11864950 0.72 USP2 (0.49) ALDH1A1NPSR1PKMKDM4ELMNA
SCHEMBL1711638 0.72 USP2 (0.45) ALDH1A1LMNAUSP2HPGDSMN1; SMN2
SCHEMBL7888410 0.72 USP2 (0.45) ALDH1A1LMNAUSP2HPGDSMN1; SMN2

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