SCHEMBL9841193

SCHEMBL9841193

CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(C2C(O)[C@@]3(O)C(c4ccc(C(=O)NCCCCCCCCCCCCCCCCCC)cc4)[C@@](O)([C@H](O)CO)[C@@]23O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
NAAA Q02083 3/20 0.44
MLYCD O95822 1/20 0.42
CA2 P00918 1/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
FOLH1 Q04609 3/20 0.38
POLB P06746 1/20 0.37
SMPD1 P17405 1/20 0.35
CNR1 P21554 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
SCHEMBL9791860 0.92 KDM4E (0.38) L3MBTL1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL9791862 0.88 KDM4E (0.35) L3MBTL1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL9791995 0.88 KDM4E (0.35) L3MBTL1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL9792091 0.88 OPRD1 (0.35) MEN1MAPTKMT2A
SCHEMBL8554956 0.88 MMP13 (0.38) CA2ALDH1A1MEN1KMT2APOLB
SCHEMBL9796151 0.87 KDM4E (0.37) ALDH1A1KMT2A
SCHEMBL9791883 0.87 KDM4E (0.37) ALDH1A1KMT2A
SCHEMBL9792001 0.87 NPC1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL9791939 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL9792064 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A

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
JP-3215459-A None JP disclosed
JP-H03215459-A NOVEL ORGANIC GELLING AGENT NEW JAPAN CHEM CO LTD 1991-09-20 JP disclosed