SCHEMBL9954430

SCHEMBL9954430

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TACR1 P25103 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ GJB2 P29033 1/20 0.45
▸ TACR2 P21452 1/20 0.45
▸ NT5E P21589 1/20 0.44
▸ PTPN1 P18031 5/20 0.42
▸ CDC25B P30305 5/20 0.42
▸ PTPN2 P17706 2/20 0.42
▸ PTPN6 P29350 2/20 0.42
▸ PTPN11 Q06124 2/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9954862 0.94 LMNA (0.47) LMNASMN1; SMN2TACR1HTTGJB2
SCHEMBL9954434 0.92 TACR1 (0.53) LMNASMN1; SMN2TACR1HTTNT5E
SCHEMBL14413410 0.89 TACR1 (0.51) LMNASMN1; SMN2TACR1HTTTACR2
SCHEMBL9284116 0.86 LMNA (0.56) LMNASMN1; SMN2TACR1HTTGJB2
SCHEMBL8518190 0.86 LMNA (0.56) LMNASMN1; SMN2TACR1HTTGJB2
SCHEMBL8741356 0.84 LMNA (0.58) LMNASMN1; SMN2TACR1TACR2NT5E
SCHEMBL9943628 0.82 KMT2A (0.48) TACR1TACR2NT5EPTPN1CDC25B
SCHEMBL8586688 0.82 LMNA (0.51) LMNASMN1; SMN2TACR1TACR2NT5E
SCHEMBL14413415 0.81 TACR1 (0.52) TACR1NT5EPTPN1CDC25BPTPN2
SCHEMBL6809787 0.81 GJB2 (0.58) GJB2TACR2NT5EPTPN1CDC25B

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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