SCHEMBL8987290

SCHEMBL8987290

CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.38
DUSP3 P51452 1/20 0.38
ASAH1 Q13510 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
PLA2G2C Q5R387 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL8987469 1.00 LMNA (0.40) LMNANPC1RAB9ASMN1; SMN2PRSS1
SCHEMBL8533291 0.90 CYP3A4 (0.48) LMNAPRSS1PRSS2PRSS3KDM4E
SCHEMBL6141476 0.85 LMNA (0.47) LMNANPC1RAB9ASMN1; SMN2PRSS1
SCHEMBL8530159 0.84 LMNA (0.46) LMNANPC1RAB9ASMN1; SMN2PRSS1
SCHEMBL8440800 0.82 NPC1 (0.48) LMNANPC1RAB9ASMN1; SMN2
Mannitol SCHEMBL8425772 0.81 LMNA (0.44) LMNAPRSS1PRSS2PRSS3MEN1
SCHEMBL8443388 0.80 ACHE (0.46) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL8440040 0.77 ACHE (0.50) LMNAPRSS1PRSS2PRSS3
SCHEMBL8440084 0.77 ACHE (0.50) LMNAPRSS1PRSS2PRSS3
SCHEMBL8533418 0.76 ACHE (0.49) PRSS1PRSS2PRSS3

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
US-5587169-A COMPRISING NONIONIC HYDROXYLATED GROUP; PROTECTIVE CREAM L'OREAL (FR) 1996-12-24 US claimed
US-5587169-A COMPRISING NONIONIC HYDROXYLATED GROUP; PROTECTIVE CREAM L'OREAL (FR) 1996-12-24 US disclosed