SCHEMBL7801140

SCHEMBL7801140

CC(=O)OCCN1c2cc(O)ccc2C(C)=CC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 4/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
USP2 O75604 1/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
ALOX12 P18054 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL7801147 0.86 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL9073908 0.84 LMNA (0.55) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL29430132 0.77 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL1934004 0.77 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL1934113 0.77 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL12189950 0.72 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL18110097 0.67 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL20854310 0.66 TNF (0.37) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL20858913 0.65 TNF (0.38) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL8849533 0.65 LMNA (0.66) ALDH1A1KMT2AMEN1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6184379-B1 FLUORESCENT DYES USED IN DIAGNOSIS ROCHE DIAGNOSTICS GMBH (DE) 2001-02-06 US disclosed