SCHEMBL4718166

SCHEMBL4718166

O=CCC12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
HTT P42858 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
SPHK2 Q9NRA0 4/20 0.54
ALDH1A1 P00352 1/20 0.49
RAD52 P43351 1/20 0.48
SPHK1 Q9NYA1 2/20 0.44
GAA P10253 1/20 0.40
P2RX7 Q99572 1/20 0.40

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
SCHEMBL4717042 0.86 LMNA (0.49) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4713929 0.85 GRIN2D (0.54) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4718085 0.78 MEN1 (0.76) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4715845 0.78 LMNA (0.67) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1548830 0.75 SPHK2 (0.69) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1548965 0.74 MEN1 (0.61) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1548187 0.72 LMNA (0.52) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31354841 0.72 LMNA (0.59) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL21838776 0.72 LMNA (0.59) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL18705090 0.72 LMNA (0.63) LMNAMEN1KMT2AHTTSMN1; SMN2

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-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 EP disclosed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO disclosed