SCHEMBL16112014

SCHEMBL16112014

CCOC(=O)C1(CCc2ccc(-c3ccccc3)cc2)CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.56
▸ MEN1 O00255 12/20 0.55
▸ KMT2A Q03164 12/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ MAPT P10636 3/20 0.55
▸ POLB P06746 3/20 0.55
▸ RAB9A P51151 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ OPRM1 P35372 2/20 0.53
▸ OPRD1 P41143 2/20 0.53
▸ RECQL P46063 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ PKM P14618 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL16111262 0.85 LMNA (0.50) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL16112217 0.83 MAPT (0.47) LMNAALDH1A1MAPT
SCHEMBL16839640 0.82 SMN1; SMN2 (0.44) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL18440208 0.80 MEN1 (0.65) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL16112134 0.80 MMP13 (0.48) MAPT
SCHEMBL12346133 0.79 MEN1 (0.59) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL1919601 0.77 MEN1 (0.61) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL20730254 0.76 LMNA (0.56) LMNAMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL1476096 0.76 MEN1 (0.60) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL24241978 0.74 MEN1 (0.47) LMNAMEN1KMT2AALDH1A1MAPT

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
WO-2014160649-A1 HYDROXAMIC ACID DERIVATIVES AS LPXC INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2014-10-02 — — WO disclosed
WO-2014160649-A1 HYDROXAMIC ACID DERIVATIVES AS LPXC INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2014-10-02 — — WO disclosed
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