SCHEMBL16804114

SCHEMBL16804114

O=C(O)C1CCCCC1CN1C(=O)C2C(C1=O)[C@@H]1CC[C@H]2C1O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPBWR1 P48145 1/20 0.35
MAPT P10636 1/20 0.33
HTR2B P41595 1/20 0.33
KEAP1 Q14145 5/20 0.31
NFE2L2 Q16236 3/20 0.30
ALDH1A1 P00352 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16781368 0.81 KMT2A (0.44) MEN1KMT2AHTR2BALDH1A1L3MBTL1
SCHEMBL16804113 0.81 KMT2A (0.44) MEN1KMT2AHTR2BALDH1A1L3MBTL1
SCHEMBL18673134 0.78
SCHEMBL6033629 0.73 KEAP1 (0.36) KEAP1NFE2L2ATML3MBTL1
SCHEMBL19084383 0.72 CA1 (0.36) MEN1KMT2ANPBWR1L3MBTL1
SCHEMBL3781297 0.69 KEAP1 (0.56) KEAP1NFE2L2ATML3MBTL1
SCHEMBL22415944 0.67 CHRM2 (0.47) MEN1KMT2AALDH1A1
SCHEMBL22415869 0.67 CHRM5 (0.42) MEN1KMT2AALDH1A1
SCHEMBL22416019 0.67 CHRM2 (0.47) MEN1KMT2AALDH1A1
SCHEMBL22415855 0.67 CHRM5 (0.42) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170192025-A1 METHODS OF MONITORING ADHERENCE TO LURASIDONE THERAPY AMERITOX LLC (US) 2017-07-06 US disclosed
US-20170192025-A1 METHODS OF MONITORING ADHERENCE TO LURASIDONE THERAPY AMERITOX LLC (US) 2017-07-06 US disclosed
US-9606132-B2 Methods of monitoring adherence to lurasidone therapy AMERITOX, LTD. (US) 2017-03-28 US disclosed
US-9606132-B2 Methods of monitoring adherence to lurasidone therapy AMERITOX, LTD. (US) 2017-03-28 US disclosed
US-20150168431-A1 METHODS OF MONITORING ADHERENCE TO LURASIDONE THERAPY AMERITOX, LTD. 2015-06-18 US disclosed
US-20150168431-A1 METHODS OF MONITORING ADHERENCE TO LURASIDONE THERAPY AMERITOX, LTD. 2015-06-18 US disclosed