SCHEMBL28049411

SCHEMBL28049411

O=C(CCCc1ccccc1)ONc1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.52
HDAC1 Q13547 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLAAT3 P53816 2/20 0.47
PLAAT5 Q96KN8 2/20 0.47
PLAAT2 Q9NWW9 2/20 0.47
PLAAT4 Q9UL19 2/20 0.47

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
SCHEMBL7797988 0.82 HTT (0.48) P2RX7HDAC8HDAC6MAPK1ADRA1A
SCHEMBL11408628 0.81 HTT (0.47) P2RX7MAPK1ADRA1ASMN1; SMN2TDP1
Acetic Acid SCHEMBL28825732 0.78 HTT (0.45) P2RX7MAPK1ADRA1ASMN1; SMN2TDP1
SCHEMBL8717921 0.74 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7393706 0.74 P2RX7 (0.58) P2RX7SMN1; SMN2TDP1POLBKMT2A
SCHEMBL27595528 0.73 HTT (0.43) P2RX7MAPK1ADRA1ASMN1; SMN2TDP1
SCHEMBL162806 0.73 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL6371649 0.73 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL19452424 0.72 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL2222140 0.72 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC8HDAC6

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
CN-101687792-B Prodrug of non-steroidal anti-inflammatory drug with rapid skin and biological membrane penetration speed and medical application thereof YU CHONGXI (US) 2016-03-02 CN disclosed