SCHEMBL18650583

SCHEMBL18650583

OCCNCCOCCN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
CXCR4 P61073 2/20 0.37
RAD52 P43351 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LTA4H P09960 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL18650586 0.88 HSD17B10 (0.44) HSD17B10KDM4EALDH1A1TDP1MEN1
SCHEMBL17528522 0.84 HRH3 (0.36) KDM4EALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL17526296 0.84 HRH3 (0.36) KDM4EALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL17528463 0.83 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2LTA4HHRH3
SCHEMBL17528531 0.83 HRH3 (0.36) KDM4EALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL8306633 0.82 HSD17B10 (0.46) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL3522883 0.82 HSD17B10 (0.53) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL40202 0.82 KDM4E (0.46) HSD17B10KDM4EALDH1A1TDP1MEN1
SCHEMBL17528519 0.81 KDM4E (0.37) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13187901 0.81 ALDH1A1 (0.41) KDM4EALDH1A1TDP1MEN1KMT2A

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-20170080378-A1 THERMALLY STABLE AMINES FOR CO2 CAPTURE UNIV TEXAS (US) 2017-03-23 US disclosed
US-20170080378-A1 THERMALLY STABLE AMINES FOR CO2 CAPTURE UNIV TEXAS (US) 2017-03-23 US disclosed