SCHEMBL7212918

SCHEMBL7212918

CC(C)(C)CON(c1ccccc1)C(C)(C)C(=O)OP(N)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7113639 0.73 KMT2A (0.34) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL7787086 0.72 KMT2A (0.35) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL7208497 0.72 LAP3 (0.37) ALDH1A1PKMMAPT
SCHEMBL779563 0.66 SMN1; SMN2 (0.37) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL4633323 0.66 CETP (0.39) ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL12502162 0.65 POLB (0.33) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL1287366 0.64 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL7212937 0.63 NPC1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4633775 0.63 MAPT (0.38) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL7208533 0.61 CYP2C19 (0.39) MEN1KMT2ACYP2C19SMN1; SMN2MAPT

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
EP-1150988-B1 PHOSPHORAMIDATE, AND MONO-, DI-, AND TRI-PHOSPHATE ESTERS OF (1R, CIS)-4-(6-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL AGENTS GLAXO GROUP LTD (GB) 2003-05-28 EP claimed