SCHEMBL19928630

SCHEMBL19928630

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.41
▸ SMPD1 P17405 1/20 0.39
▸ PLA2G4A P47712 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PLA2G2A P14555 5/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PLA2G1B P04054 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PLA2G10 O15496 1/20 0.31

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
SCHEMBL12313943 1.00 FABP3 (0.41) FABP3SMPD1PLA2G4ASMN1; SMN2PLA2G2A
SCHEMBL19928629 0.87 SMPD1 (0.52) SMPD1SMN1; SMN2PLA2G2AMEN1S1PR1
SCHEMBL18826517 0.86 PLA2G4A (0.44) PLA2G4APLA2G2ATP53CYP1A2CYP2D6
SCHEMBL14192763 0.84 PLA2G4A (0.58) FABP3SMPD1PLA2G4APLA2G2APLA2G1B
SCHEMBL16081282 0.83 PLA2G4A (0.60) FABP3SMPD1PLA2G4AMEN1S1PR1
SCHEMBL19928626 0.79 S1PR1 (0.51) FABP3SMPD1SMN1; SMN2MEN1S1PR1
SCHEMBL19010231 0.77 FABP3 (0.44) FABP3SMN1; SMN2PLA2G2APLA2G1BPLA2G10
SCHEMBL5959569 0.76 PLA2G4A (0.54) FABP3PLA2G4APLA2G2APLA2G1BMAPT
SCHEMBL16181236 0.75 PLA2G4A (0.44) FABP3SMPD1PLA2G4ASMN1; SMN2PLA2G2A
SCHEMBL15235842 0.75 PLA2G2A (0.47) FABP3SMN1; SMN2PLA2G2APLA2G1BPLA2G10

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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