SCHEMBL27615261

SCHEMBL27615261

CCOC(=O)C(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)CP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.36
FOLH1 Q04609 1/20 0.36
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MMP8 P22894 1/20 0.35

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
SCHEMBL27615259 0.83 SMN1; SMN2 (0.49) SMN1; SMN2POLBHSD17B10KDM4ETSHR
SCHEMBL4871262 0.81 MEN1 (0.39) SMN1; SMN2POLBHSD17B10MEN1KMT2A
SCHEMBL4872659 0.79 HSD17B10 (0.37) HSD17B10MMP8
SCHEMBL17504759 0.75 HSD17B10 (0.53) SMN1; SMN2POLBHSD17B10MEN1KMT2A
SCHEMBL4871261 0.74 SMN1; SMN2 (0.37) SMN1; SMN2POLBHSD17B10MEN1KMT2A
SCHEMBL27615256 0.72 CYP3A4 (0.50) SMN1; SMN2POLBALDH1A1
SCHEMBL7238580 0.71 MAPT (0.43) SMN1; SMN2NPC1ALDH1A1
SCHEMBL7238575 0.71 MAPT (0.43) SMN1; SMN2NPC1ALDH1A1
SCHEMBL3516029 0.71 GRM3 (0.40) FOLH1
SCHEMBL27429610 0.71 LTA4H (0.54) CYP1A2

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
CN-1705674-A phosphinic acid analogs of glutamic acid GIVAUDAN SA (CH) 2005-12-07 CN disclosed