SCHEMBL2380644

SCHEMBL2380644

C1=CC2CCC1C2.O=C(O)CC1CC2C=CC1C2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
SLC6A12 P48065 3/20 0.39
SLC6A11 P48066 3/20 0.39
SLC6A13 Q9NSD5 3/20 0.39
LMNA P02545 1/20 0.37
PKM P14618 2/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL17934358 0.93 SLC6A12 (0.45) KDM4EALDH1A1TDP1SLC6A12SLC6A11
SCHEMBL29936790 0.93 SLC6A12 (0.45) KDM4EALDH1A1TDP1SLC6A12SLC6A11
SCHEMBL9887148 0.93 SLC6A12 (0.45) KDM4EALDH1A1TDP1SLC6A12SLC6A11
SCHEMBL560786 0.93 SLC6A12 (0.45) KDM4EALDH1A1TDP1SLC6A12SLC6A11
SCHEMBL17331216 0.93 SLC6A12 (0.45) KDM4EALDH1A1TDP1SLC6A12SLC6A11
SCHEMBL23694121 0.93 SLC6A12 (0.45) KDM4EALDH1A1TDP1SLC6A12SLC6A11
SCHEMBL1787909 0.93 SLC6A12 (0.45) KDM4EALDH1A1TDP1SLC6A12SLC6A11
SCHEMBL75258 0.93 SLC6A12 (0.45) KDM4EALDH1A1TDP1SLC6A12SLC6A11
SCHEMBL11613410 0.89 SLC6A12 (0.42) KDM4EALDH1A1TDP1SLC6A12SLC6A11
SCHEMBL1299834 0.80 KDM4E (0.35) KDM4EALDH1A1TDP1SLC6A12SLC6A11

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-2011112970-A2 COMPOSITIONS AND METHODS FOR BIOCONJUGATION TO QUANTUM DOTS THE GENERAL HOSPITAL CORPORATION (US) 2011-09-15 WO disclosed