SCHEMBL4583145

SCHEMBL4583145

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)(C)C(=O)OC)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.34
FKBP1A P62942 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.34
RORC P51449 1/20 0.33
CYP2D6 P10635 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL2924051 1.00 CYP2C9 (0.35) CYP2C9LMNASMN1; SMN2KMT2AFKBP1A
SCHEMBL2923691 0.95 FKBP1A (0.35) CYP2C9LMNASMN1; SMN2KMT2AFKBP1A
SCHEMBL2916770 0.95 FKBP1A (0.35) CYP2C9LMNASMN1; SMN2KMT2AFKBP1A
SCHEMBL2922529 0.94 LMNA (0.35) CYP2C9LMNASMN1; SMN2KMT2AFKBP1A
SCHEMBL2915884 0.94 CYP2C9 (0.35) CYP2C9LMNASMN1; SMN2KMT2ATP53
SCHEMBL1038932 0.94 CYP2C9 (0.35) CYP2C9LMNASMN1; SMN2KMT2ATP53
SCHEMBL2923087 0.93 LMNA (0.35) CYP2C9LMNASMN1; SMN2KMT2AFKBP1A
SCHEMBL2919065 0.93 KMT2A (0.35) CYP2C9LMNASMN1; SMN2KMT2AFKBP1A
SCHEMBL2922614 0.93 FKBP1A (0.34) CYP2C9LMNASMN1; SMN2KMT2AFKBP1A
SCHEMBL2921489 0.93 SMN1; SMN2 (0.35) CYP2C9LMNASMN1; SMN2KMT2AFKBP1A

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