SCHEMBL500328

SCHEMBL500328

COCCC(CN1CCOCC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.42
ANPEP P15144 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MITF O75030 1/20 0.39
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL499879 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTHTTRAB9A
SCHEMBL7371485 0.82 ALDH1A1 (0.57) ALDH1A1LMNAMAPTHTTRAB9A
SCHEMBL11604652 0.81 ALDH1A1 (0.63) ALDH1A1LMNAMAPTHTTRAB9A
SCHEMBL499959 0.79 ALDH1A1 (0.54) ALDH1A1LMNAMAPTHTTRAB9A
SCHEMBL500355 0.78 ALDH1A1 (0.61) ALDH1A1LMNAMAPTHTTRAB9A
SCHEMBL500530 0.77 ALDH1A1 (0.39) ALDH1A1LMNAMAPTHIF1ATDP1
SCHEMBL12541627 0.75 ALDH1A1 (0.56) ALDH1A1LMNAMAPTHTTRAB9A
SCHEMBL5718243 0.74 HSD17B10 (0.47) ALDH1A1LMNAMAPTRAB9ATDP1
SCHEMBL8234245 0.73 ANPEP (0.46) ALDH1A1TDP1USP2ANPEPNPC1
SCHEMBL12227732 0.73 ALDH1A1 (0.54) ALDH1A1LMNAMAPTHTTRAB9A

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