SCHEMBL10337442

SCHEMBL10337442

CCCCCCCCCCCCN1C(=O)NCC1CCO

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTGER4 P35408 3/20 0.37
PTGER3 P43115 3/20 0.37
PTGER2 P43116 3/20 0.37
PRKCD Q05655 4/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NAAA Q02083 3/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8394535 1.00 GBA1 (0.43) GBA1MEN1KMT2APTGER4PTGER3
SCHEMBL3636070 0.87 MEN1 (0.43) GBA1MEN1KMT2AALDH1A1POLB
SCHEMBL10337489 0.86 KMT2A (0.45) GBA1MEN1KMT2AALDH1A1NAAA
SCHEMBL20733168 0.84 GBA1 (0.44) GBA1MEN1KMT2APOLBMAPT
SCHEMBL8392269 0.83 MEN1 (0.42) GBA1MEN1KMT2AALDH1A1NAAA
SCHEMBL20733170 0.76 GBA1 (0.45) GBA1POLBMAPTNPSR1NAAA
SCHEMBL3514840 0.75 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4E
SCHEMBL6064310 0.74 GBA1 (0.41) GBA1MEN1KMT2APTGER4PTGER3
SCHEMBL18640661 0.72 GBA1 (0.41) GBA1ALDH1A1POLBMAPTNPSR1
SCHEMBL9323763 0.72 CYP1A2 (0.38) MEN1KMT2AALDH1A1NAAA

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
EP-0378657-A1 OXAZOLIDINONE PENETRATION ENHANCING COMPOUNDS. RAJADHYAKSHA VITHAL J 1990-07-25 EP disclosed
WO-1990000407-A1 OXAZOLIDINONE PENETRATION ENHANCING COMPOUNDS RAJADHYAKSHA VITHAL J (US) 1990-01-25 WO disclosed