SCHEMBL27700693

SCHEMBL27700693

CC(C)CCC1=C(O)C(=O)c2ccccc2C1=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.78
APAF1 O14727 2/20 0.52
TDP2 O95551 1/20 0.52
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
NPC1 O15118 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CDC25B P30305 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7149579 0.88 DHODH (0.61) DHODHAPAF1TDP2MAPTALDH1A1
SCHEMBL5821364 0.85 APAF1 (0.65) DHODHAPAF1TDP2MAPTALDH1A1
SCHEMBL9713924 0.81 APAF1 (0.56) DHODHAPAF1TDP2MAPTALDH1A1
SCHEMBL5806521 0.81 APAF1 (0.56) DHODHAPAF1TDP2MAPTALDH1A1
SCHEMBL571484 0.80 DHODH (0.60) DHODHAPAF1MAPTALDH1A1RAB9A
SCHEMBL14027541 0.79 DHODH (0.51) DHODHAPAF1TDP2MAPTALDH1A1
SCHEMBL972010 0.78 MAPT (0.62) DHODHAPAF1TDP2MAPTALDH1A1
SCHEMBL8143790 0.77 APAF1 (0.50) DHODHAPAF1TDP2MAPTALDH1A1
SCHEMBL8461456 0.77 APAF1 (0.50) DHODHAPAF1TDP2MAPTALDH1A1
SCHEMBL8781044 0.77 APAF1 (0.60) DHODHAPAF1TDP2MAPTALDH1A1

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
CN-101180379-B Dihydroxy enol compounds used in chemical mechanical polishing compositions having metal ion oxidizers AIR PROD & CHEM 2013-07-24 CN disclosed
CN-101180379-A Dihydroxy enol compounds used in chemical mechanical polishing compositions having metal ion oxidizers DUPONT AIR PROD NANOMATERIALS (US) 2008-05-14 CN disclosed