SCHEMBL3751216

SCHEMBL3751216

O=C(O)C(O)=CC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
EDNRA P25101 2/20 0.39
EDNRB P24530 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL5482288 0.81 POLB (0.46) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL5869639 0.81 POLB (0.46) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL3404312 0.72 HDAC3 (0.42) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL27481120 0.71 HDAC3 (0.44) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL31115247 0.69 POLB (0.46) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL224931 0.69 GPR3 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL29196425 0.69 GPR3 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL7421342 0.69 GPR3 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL29711937 0.69 GPR3 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL13894898 0.68 HTR2A (0.39) HDAC3HDAC4HDAC7HDAC8HDAC6

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
US-8334026-B2 Tunable fluorescent UV curable gel inks containing fluorescent monomers for food packaging applications XEROX CORPORATION (US) 2012-12-18 US disclosed
US-20100304040-A1 TUNABLE FLUORESCENT UV CURABLE GEL INKS CONTAINING FLUORESCENT MONOMERS FOR FOOD PACKAGING APPLICATIONS XEROX CORPORATION (US) 2010-12-02 US disclosed