SCHEMBL2064181

SCHEMBL2064181

CC(C)c1ccc(NCCNc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
GAA P10253 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTSK P43235 1/20 0.43
LMNA P02545 1/20 0.42
KIF11 P52732 1/20 0.42
ICMT O60725 1/20 0.42
EPHX1 P07099 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
GRIN2D O15399 1/20 0.41

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
SCHEMBL20883650 0.91 MAPT (0.46) MAPTGAASMN1; SMN2HPGDNFKB1
SCHEMBL12963093 0.89 EPHX1 (0.46) MAPTGAASMN1; SMN2HPGDNFKB1
SCHEMBL103979 0.88 STK17A (0.55) MAPTGAAKDM4EALDH1A1CTSK
SCHEMBL4409856 0.87 STK17B (0.43) MAPTGAASMN1; SMN2HPGDNFKB1
SCHEMBL1947590 0.87 NFKB1 (0.43) MAPTGAASMN1; SMN2HPGDNFKB1
SCHEMBL16869986 0.87 SMN1; SMN2 (0.49) MAPTGAASMN1; SMN2HPGDKDM4E
SCHEMBL16869951 0.87 MAPT (0.41) MAPTGAASMN1; SMN2HPGDNFKB1
SCHEMBL15586619 0.86 STK17B (0.50) MAPTGAAKDM4EALDH1A1CTSK
SCHEMBL854855 0.85 EPHX1 (0.51) MAPTGAASMN1; SMN2HPGDKDM4E
SCHEMBL11935539 0.84 STK17B (0.49) MAPTGAAKDM4EALDH1A1CTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120255898-A1 SEMIPERMEABLE POLYMERS AND METHOD FOR PRODUCING SAME ELTRON RESEARCH & DEVELOPMENT, INC. (US) 2012-10-11 US disclosed
US-8147735-B2 Semipermeable polymers and method for producing same ELTRON RESEARCH & DEVELOPMENT, INC. (US) 2012-04-03 US disclosed
US-20100006495-A1 SEMIPERMEABLE POLYMERS AND METHOD FOR PRODUCING SAME ELTRON RESEARCH AND DEVELOPMENT, INC. (US) 2010-01-14 US disclosed