SCHEMBL16689644

SCHEMBL16689644

CC(=O)OCC1OC(O)C(NCC(=O)c2ccccc2)[C@@H](C)[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ KMT2A Q03164 4/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ HPGD P15428 3/20 0.36
▸ AGTR1 P30556 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TRIP13 Q15645 1/20 0.36
▸ CYP3A4 P08684 6/20 0.36
▸ MAPT P10636 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ HK1 P19367 2/20 0.34
▸ HK2 P52789 2/20 0.34
▸ CYP2C19 P33261 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL16232445 0.87 LMNA (0.44) LMNATSHRKMT2AALDH1A1HPGD
SCHEMBL16689648 0.87 LMNA (0.53) LMNATSHRKMT2AALDH1A1TRIP13
SCHEMBL15581559 0.84 TSHR (0.55) LMNATSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL16690978 0.84 TSHR (0.55) LMNATSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL18503712 0.76 LMNA (0.42) LMNATSHRKMT2AALDH1A1HPGD
SCHEMBL13449555 0.76 LMNA (0.47) LMNATSHRKMT2AALDH1A1RAB9A
SCHEMBL16690984 0.76 LMNA (0.64) LMNATSHRKMT2AALDH1A1CYP3A4
SCHEMBL15581555 0.76 LMNA (0.64) LMNATSHRKMT2AALDH1A1CYP3A4
SCHEMBL16234426 0.75 LMNA (0.40) LMNATSHRKMT2AALDH1A1HPGD
SCHEMBL20207082 0.74 HK1 (0.61) LMNATSHRKMT2ATRIP13HK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150125884-A1 Magnetic Labeling of Bacteria THE GENERAL HOSPITAL CORPORATION 2015-05-07 — — US disclosed
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