SCHEMBL4633775

SCHEMBL4633775

CCON(c1ccccc1)[C@@](C)(CC(C)C)C(=O)OP(=O)(O)Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
PRSS1 P07477 1/20 0.30
CTSG P08311 1/20 0.30
CTRB1 P17538 1/20 0.30
CMA1 P23946 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL4635203 0.84 MAPT (0.36) MAPTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL12502162 0.80 POLB (0.33) SMN1; SMN2ALDH1A1LMNATP53POLB
SCHEMBL12501797 0.75 ALDH1A1 (0.36) MAPTALDH1A1LMNATP53POLB
SCHEMBL4633323 0.71 CETP (0.39) MAPTSMN1; SMN2ALDH1A1
SCHEMBL7113639 0.71 KMT2A (0.34) SMN1; SMN2ALDH1A1MEN1CYP3A4CYP2C9
SCHEMBL7795340 0.71 SMN1; SMN2 (0.38) MAPTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL20856173 0.71 SMN1; SMN2 (0.38) MAPTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL20162538 0.68 ALDH1A1 (0.35) MAPTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL779563 0.67 SMN1; SMN2 (0.37) MAPTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL11638538 0.65 KMT2A (0.36) MAPTSMN1; SMN2ALDH1A1TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928475-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4'-SUBSTITUTED PRONUCLEOTIDES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-11 EP disclosed
WO-2007020193-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4 ' -SUBSTITUTED PRONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed