SCHEMBL9566018

SCHEMBL9566018

CC(=O)C1=C(C)C(C)=C(C)C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.34
KDM4E B2RXH2 1/20 0.31
APAF1 O14727 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 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
SCHEMBL4750061 0.75 CTSD (0.31) CTSD
SCHEMBL2230540 0.67 CTSD (0.43) CTSD
SCHEMBL5705518 0.67 CTSD (0.32) CTSD
Acetic Acid SCHEMBL7760494 0.67 CTSD (0.32) CTSD
Hydrochloric Acid SCHEMBL8675589 0.66
Acetic Acid SCHEMBL7760489 0.65 CA1 (0.35) CTSD
SCHEMBL9566021 0.65
SCHEMBL6349950 0.63 CTSD (0.33) CTSD
SCHEMBL248760 0.60 CTSD (0.33) CTSD
Hydrochloric Acid SCHEMBL9247457 0.60 CTSD (0.33) CTSD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540983-A2 Process for the deposition of molybdenum- or tungsten containing layers Solvay Deutschland GmbH (DE) 1993-05-12 EP disclosed