SCHEMBL1870609

SCHEMBL1870609

COC(=O)Cc1ccccc1.COC(=O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
LMNA P02545 1/20 0.62
TSHR P16473 1/20 0.62
CYP4F2 P78329 1/20 0.62
CYP4A11 Q02928 1/20 0.62
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HPGD P15428 1/20 0.59
PAM P19021 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
AKR1B1 P15121 1/20 0.56
SLC7A5 Q01650 1/20 0.56
HSP90AB1 P08238 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL4675 1.00 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRCYP4F2
Benzene SCHEMBL28096336 1.00 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRCYP4F2
Hydrogen Sulfide SCHEMBL28016697 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Phosphine SCHEMBL27697952 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Water SCHEMBL27293689 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Methyl Alcohol SCHEMBL3396251 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Ethane SCHEMBL10923525 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Hydrochloric Acid SCHEMBL9268979 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Ammonia Solution, Strong SCHEMBL38662792 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2
Methane SCHEMBL10924043 0.98 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRCYP4F2

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
EP-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed