SCHEMBL11085302

SCHEMBL11085302

CCOC(=O)C(=O)CC(=O)CC(=O)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
CDC25A P30304 1/20 0.50
CDC25C P30307 1/20 0.50
HPGD P15428 3/20 0.48
PTPN1 P18031 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 3/20 0.46
GMNN O75496 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
BLM P54132 2/20 0.46
PMP22 Q01453 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CMKLR1 Q99788 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL20913014 0.93 CDC25B (0.57) CDC25BALDH1A1KDM4ECDC25ACDC25C
SCHEMBL854153 0.81 CDC25B (0.60) CDC25BALDH1A1KDM4ECDC25ACDC25C
SCHEMBL30716618 0.80 KMT2A (0.54) CDC25BALDH1A1KDM4ECDC25ACDC25C
SCHEMBL20897263 0.80 KMT2A (0.54) CDC25BALDH1A1KDM4ECDC25ACDC25C
SCHEMBL697232 0.78 CDC25B (0.63) CDC25BALDH1A1KDM4ECDC25ACDC25C
SCHEMBL10595457 0.78 PTPN1 (0.57) CDC25BALDH1A1KDM4EHPGDPTPN1
SCHEMBL22062251 0.77 CDC25B (0.61) CDC25BALDH1A1KDM4ECDC25ACDC25C
SCHEMBL11087897 0.77 KMT2A (0.51) ALDH1A1KDM4EHPGDPTPN1MEN1
SCHEMBL4910288 0.76 CDC25B (0.60) CDC25BALDH1A1KDM4ECDC25ACDC25C
SCHEMBL5857951 0.75 PTPN1 (0.71) CDC25BALDH1A1KDM4EHPGDPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4471129-A ANTIHISTAMINES LILLY INDUSTRIES LIMITED (GB) 1984-09-11 US disclosed
US-4448787-A ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1984-05-15 US disclosed
US-4304728-A 2,6-DIHYDROXY-2,5-HEXADIENOIC ACID DERIVATIVES, ANTIHISTAMINE INTERMEDIATES LILLY INDUSTRIES LIMITED (GB) 1981-12-08 US disclosed