SCHEMBL19928629

SCHEMBL19928629

C/C=C/C(O)C(COP(=O)([O-])OCC[N+](C)(C)C)NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ S1PR1 P21453 1/20 0.46
▸ PLA2G1B P04054 1/20 0.44
▸ PLA2G2A P14555 1/20 0.44
▸ ADRA1D P25100 1/20 0.43
▸ PTAFR P25105 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ PLA2G10 O15496 1/20 0.43
▸ NR5A2 O00482 1/20 0.42
▸ NR5A1 Q13285 1/20 0.42
▸ MAPK1 P28482 4/20 0.40
▸ GMNN O75496 2/20 0.40

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
SCHEMBL19928630 0.87 FABP3 (0.41) SMPD1SMN1; SMN2MEN1KMT2AS1PR1
SCHEMBL12313943 0.87 FABP3 (0.41) SMPD1SMN1; SMN2MEN1KMT2AS1PR1
SCHEMBL31467436 0.83 SMPD1 (0.74) SMPD1MEN1KMT2AS1PR1PLA2G1B
SCHEMBL19928625 0.79 MEN1 (0.68) SMPD1SMN1; SMN2MEN1KMT2AS1PR1
SCHEMBL19821629 0.76 PLA2G1B (0.60) SMN1; SMN2PLA2G1BPLA2G2AADRA1DPTAFR
SCHEMBL195823 0.73 SMPD1 (0.75) SMPD1MEN1KMT2AS1PR1PLA2G1B
SCHEMBL14889266 0.73 SMPD1 (0.75) SMPD1MEN1KMT2AS1PR1PLA2G1B
SCHEMBL30884227 0.73 SMPD1 (0.75) SMPD1MEN1KMT2AS1PR1PLA2G1B
SCHEMBL19759836 0.73 SMPD1 (0.75) SMPD1MEN1KMT2AS1PR1PLA2G1B
SCHEMBL29693688 0.73 SMPD1 (0.75) SMPD1MEN1KMT2AS1PR1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11841362-B2 Method for the diagnosis of Niemann-Pick disease CENTOGENE GMBH (DE) 2023-12-12 — — US disclosed
US-20220187283-A1 Method for the Diagnosis of Niemann-Pick Disease CENTOGENE GMBH (DE) 2022-06-16 — — US disclosed
US-11231412-B2 Method for the diagnosis of Niemann-Pick disease CENTOGENE GMBH (DE) 2022-01-25 — — US disclosed
US-20200072819-A1 Method for the Diagnosis of Niemann-Pick Disease CENTOGENE GMBH (DE) 2020-03-05 — — US disclosed
US-10422789-B2 Method for the diagnosis of Niemann-Pick disease CENTOGENE AG (DE) 2019-09-24 — — US disclosed
US-10302664-B2 Method for the diagnosis of Niemann-Pick disease CENTOGENE AG (DE) 2019-05-28 — — US disclosed
US-20180088107-A1 Method for the Diagnosis of Niemann-Pick Disease CENTOGENE GMBH (DE) 2018-03-29 — — US disclosed
US-9910033-B2 Method for the diagnosis of Niemann-Pick disease CENTOGENE AG (DE) 2018-03-06 — — US disclosed
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