SCHEMBL500097

SCHEMBL500097

COC(=O)CC(CN1CCCCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A4 P31645 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35

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
SCHEMBL16415774 0.87 ALDH1A1 (0.45) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL12541321 0.80 MAPT (0.47) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL7720916 0.80 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ASLC6A4
SCHEMBL11461136 0.80 ALDH1A1 (0.53) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL25582852 0.77 ABCB1 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2L3MBTL1
SCHEMBL10566709 0.77 ALDH1A1 (0.51) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8669433 0.75 SLC1A1 (0.47) MEN1KMT2ATDP1TSHR
SCHEMBL499876 0.74 ALDH1A1 (0.49) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL12227734 0.71 ALDH1A1 (0.46) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL16415872 0.71 ALDH1A1 (0.45) ALDH1A1MAPTTDP1TSHRSMN1; 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