SCHEMBL4581441

SCHEMBL4581441

COCCCN1C(=O)COc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]3c3ccc(O)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.37
UTS2R Q9UKP6 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 2/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
CHRM1 P11229 1/20 0.32
CYP1A2 P05177 2/20 0.32
HTR1A P08908 2/20 0.32
CYP2C9 P11712 2/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL3268089 1.00 REN (0.37) RENUTS2RTSHRMAPTMEN1
SCHEMBL2339171 0.95 MAPT (0.40) RENUTS2RTSHRMAPTCYP3A4
SCHEMBL1037801 0.94 REN (0.39) RENUTS2RTSHRMAPTMEN1
SCHEMBL2341022 0.94 UTS2R (0.37) RENUTS2RTSHRMAPTCYP3A4
SCHEMBL2684184 0.91 REN (0.40) RENTSHRMAPTCYP3A4POLB
SCHEMBL3469067 0.91 REN (0.40) RENTSHRMAPTCYP3A4POLB
SCHEMBL4581822 0.91 REN (0.36) RENUTS2RTSHRMAPTMEN1
SCHEMBL3267997 0.91 REN (0.36) RENUTS2RTSHRMAPTMEN1
SCHEMBL3268975 0.91 REN (0.34) RENUTS2RTSHRMAPTCYP3A4
SCHEMBL3274201 0.90 CYP3A4 (0.35) RENUTS2RTSHRMAPTCYP3A4

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-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed