SCHEMBL9954434

SCHEMBL9954434

O=C(NCCCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCCCNC(=O)OCc2ccccc2)[C@@H]1OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.53
▸ PTPN1 P18031 9/20 0.49
▸ CDC25B P30305 7/20 0.49
▸ PTPN2 P17706 6/20 0.49
▸ PTPN11 Q06124 5/20 0.49
▸ PTPN6 P29350 4/20 0.49
▸ NT5E P21589 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ SSTR1 P30872 1/20 0.48
▸ SSTR2 P30874 1/20 0.48
▸ SSTR4 P31391 1/20 0.48
▸ SSTR3 P32745 1/20 0.48
▸ SSTR5 P35346 1/20 0.48
▸ HTT P42858 1/20 0.47

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
SCHEMBL9954430 0.92 LMNA (0.47) TACR1PTPN1CDC25BPTPN2PTPN11
SCHEMBL9954862 0.90 LMNA (0.47) TACR1NT5ELMNASMN1; SMN2SSTR1
SCHEMBL8741356 0.90 LMNA (0.58) TACR1PTPN1CDC25BPTPN2PTPN11
SCHEMBL14413410 0.89 TACR1 (0.51) TACR1PTPN1CDC25BPTPN2PTPN11
SCHEMBL14413415 0.88 TACR1 (0.52) TACR1PTPN1CDC25BPTPN2PTPN11
SCHEMBL8586688 0.87 LMNA (0.51) TACR1PTPN1CDC25BPTPN2PTPN11
SCHEMBL10260457 0.84 TACR1 (0.49) TACR1PTPN1CDC25BPTPN2PTPN11
SCHEMBL9943829 0.83 TNF (0.47) TACR1PTPN1CDC25BPTPN2PTPN11
SCHEMBL14519962 0.83 PTPN1 (0.52) TACR1PTPN1CDC25BPTPN2PTPN11
SCHEMBL8518190 0.82 LMNA (0.56) TACR1PTPN1CDC25BPTPN2PTPN11

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-2655389-A2 COMPOUNDS Novartis AG (CH) 2013-10-30 — — EP disclosed
WO-2012085668-A2 COMPOUNDS NOVARTIS AG (CH) 2012-06-28 — — WO disclosed
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