SCHEMBL10050682

SCHEMBL10050682

CCC(C)C(=O)OCC1CC(=O)c2cc(Cl)ccc2S1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.36
ELOC Q15369 1/20 0.36
ELOB Q15370 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 3/20 0.32
MDM2 Q00987 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 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
SCHEMBL87140 0.81 VHL (0.36) VHLELOCELOBALDH1A1KDM4E
SCHEMBL87130 0.80 VHL (0.37) VHLELOCELOBKDM4EKMT2A
SCHEMBL87089 0.75 VHL (0.46) VHLELOCELOBALDH1A1KDM4E
SCHEMBL68882 0.74 VHL (0.43) VHLELOCELOBALDH1A1KDM4E
SCHEMBL85777 0.73 KMT2A (0.40) VHLELOCELOBALDH1A1KDM4E
SCHEMBL13535004 0.73 VHL (0.37) VHLELOCELOBKDM4EKMT2A
SCHEMBL18655348 0.72 VHL (0.39) VHLELOCELOBALDH1A1KDM4E
SCHEMBL13535001 0.71 VHL (0.42) VHLELOCELOBALDH1A1KDM4E
SCHEMBL87396 0.70 VHL (0.36) VHLELOCELOBKDM4ERAB9A
SCHEMBL18533252 0.68 KDM4E (0.32) ALDH1A1KDM4EHPGDLMNANPSR1

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-8097688-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-01-17 US disclosed
US-20100227076-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-09 US disclosed