SCHEMBL9422665

SCHEMBL9422665

CCOC(=O)C[C@H](O)C[C@@H](COCc1ccccc1)OC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.40
POLB P06746 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CYP1A2 P05177 1/20 0.36
NPC1 O15118 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
SCHEMBL8662057 0.88 CA1 (0.39) CTSSPOLBAPOBEC3AAPOBEC3GNPC1
SCHEMBL8661249 0.81 LMNA (0.43) CTSSPOLBAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL8659117 0.78 LMNA (0.39) CTSSPOLBAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL10601236 0.78 CHRNB2 (0.42) CTSSCYP1A2NPC1
SCHEMBL10601240 0.78 L3MBTL1 (0.40) CTSS
SCHEMBL4669396 0.77 KLK7 (0.41) CTSSAPOBEC3AAPOBEC3GCYP1A2
SCHEMBL2216473 0.76 CA1 (0.50) NPC1
SCHEMBL9517893 0.76 CA1 (0.38) CTSSPOLBAPOBEC3AAPOBEC3G
SCHEMBL25243094 0.75 POLB (0.37) POLBAPOBEC3AAPOBEC3G
SCHEMBL25244453 0.75 POLB (0.37) POLBAPOBEC3AAPOBEC3G

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-6065226-A None JP disclosed
JP-H0665226-A @(3754/24)3R,5S)-3,5,6-TRIHYDROXYHEXANOIC ACID DERIVATIVE AND ITS PRODUCTION TAKASAGO INTERNATL CORP 1994-03-08 JP disclosed