SCHEMBL500616

SCHEMBL500616

O=C(O)C(CC1CO1)CN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
GLA P06280 1/20 0.33
SLC6A4 P31645 1/20 0.33
ATM Q13315 2/20 0.32
PKM P14618 1/20 0.32
MITF O75030 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL11461136 0.80 ALDH1A1 (0.53) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL499884 0.74 ALDH1A1 (0.45) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL15554811 0.73
SCHEMBL12541321 0.73 MAPT (0.47) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL10566709 0.73 ALDH1A1 (0.51) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL10378555 0.71 CA2 (0.42) ALDH1A1CYP1A2MAPK1DRD3
SCHEMBL1176739 0.71 CA2 (0.42) ALDH1A1CYP1A2MAPK1DRD3
SCHEMBL20788028 0.71 FOLH1 (0.43) SMN1; SMN2
SCHEMBL21218827 0.71 CA2 (0.42) ALDH1A1CYP1A2MAPK1DRD3
SCHEMBL499876 0.71 ALDH1A1 (0.49) ALDH1A1MAPTHPGDMEN1KMT2A

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