SCHEMBL7893124

SCHEMBL7893124

CCC(CC)c1cccc(C[C@@H]2N[C@@H](c3ccccc3)[C@@H](c3ccccc3)OC2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CACNA1G O43497 6/20 0.32
CYP3A4 P08684 4/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
GRM5 P41594 1/20 0.32
EPHX1 P07099 1/20 0.31
GRM2 Q14416 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL7893126 0.80 S1PR3 (0.41) ABCB1MEN1KMT2A
SCHEMBL7893034 0.80 ABCB1 (0.38) ABCB1MEN1KMT2AGRM5GRM2
SCHEMBL5924622 0.71 SMN1; SMN2 (0.34) ABCB1MEN1KMT2AGRM5
SCHEMBL22636046 0.66 MEN1 (0.37) ABCB1MEN1KMT2AGRM5
SCHEMBL9233266 0.66 TAAR1 (0.31) EPHX1
SCHEMBL24311920 0.65 SMN1; SMN2 (0.43) ABCB1MEN1KMT2AALDH1A1GRM5
SCHEMBL6160152 0.64 MAPT (0.43) MEN1KMT2AALDH1A1GRM5
SCHEMBL6160158 0.64 MAPT (0.43) MEN1KMT2AALDH1A1GRM5
SCHEMBL5252120 0.64 MAPT (0.43) MEN1KMT2AALDH1A1GRM5
SCHEMBL18667255 0.64 CACNA1G (0.44) ABCB1CACNA1GCYP3A4CYP2C19ALDH1A1

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-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed