SCHEMBL5811522

SCHEMBL5811522

COC1=C(C)C(=O)c2cc(OC)ccc2C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.66
CDC25B P30305 2/20 0.66
PTPN1 P18031 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAP2K7 O14733 1/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL9313046 0.90 ALDH1A1 (0.61) CDC25ACDC25BPTPN1ALDH1A1KDM4E
SCHEMBL30003654 0.90 MAOA (0.57) CDC25ACDC25BPTPN1ALDH1A1IDO1
SCHEMBL23271658 0.90 MAOA (0.57) CDC25ACDC25BPTPN1ALDH1A1IDO1
SCHEMBL9627608 0.85 CDC25A (0.56) CDC25ACDC25BALDH1A1KDM4ELMNA
SCHEMBL2252533 0.84 CA1 (0.57) PTPN1ALDH1A1MAPTHPGDRAB9A
SCHEMBL7451901 0.84 CA1 (0.57) PTPN1ALDH1A1MAPTHPGDRAB9A
SCHEMBL9629285 0.83 MAOA (0.70) CDC25ACDC25BPTPN1ALDH1A1KDM4E
2-Methoxyanthraquinone SCHEMBL222927 0.82 PTPN1 (0.60) CDC25ACDC25BPTPN1ALDH1A1KDM4E
SCHEMBL30003082 0.82 LCK (0.51) CDC25ACDC25BPTPN1ALDH1A1MAPT
SCHEMBL23271650 0.82 LCK (0.51) CDC25ACDC25BPTPN1ALDH1A1MAPT

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
WO-2006107827-A1 SKIN BONDING PROCESS CREIGHTON UNIVERSITY (US) 2006-10-12 WO disclosed