SCHEMBL7704726

SCHEMBL7704726

O=C(CCCc1ccccc1)Oc1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.53
HDAC3 O15379 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 3/20 0.50
KMT2A Q03164 2/20 0.49
ACHE P22303 1/20 0.49
SGMS1 Q86VZ5 1/20 0.49
SGMS2 Q8NHU3 1/20 0.49

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
SCHEMBL28994753 0.90 TDP1 (0.62) TDP1KMT2AMAPTALOX5AKR1C3
SCHEMBL689958 0.86 KMT2A (0.51) TDP1KMT2AKDM4EMEN1RECQL
SCHEMBL688230 0.84 KMT2A (0.50) TDP1KMT2AACHESGMS1SGMS2
SCHEMBL688760 0.84 KMT2A (0.50) TDP1KMT2AACHESGMS1SGMS2
SCHEMBL27705565 0.83 KMT2A (0.50) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL14988996 0.83 PTGS2 (0.56) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL14988689 0.83 KDM4E (0.70) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL14880259 0.83 KMT2A (0.57) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL688269 0.82 GAA (0.54) SMN1; SMN2TDP1KMT2AKDM4EMEN1
SCHEMBL27686632 0.82 KDM4E (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469193-B1 THREE COMPONENT COUPLINGS OF ALIPHATIC ALCOHOLS, ALKYL HALIDES AND CARBON DIOXIDE IN THE PRESENCE OF CESIUM CARBONATE AND TETRABUTYLAMMONIUM IODIDE UNIVERSITY OF SOUTH FLORIDA 2002-10-22 US disclosed
WO-2000050376-A9 EFFICIENT SYNTHESIS OF ALKYL CARBONATES UNIV SOUTH FLORIDA (US) 2001-10-11 WO disclosed
WO-2000050376-A2 EFFICIENT SYNTHESIS OF ALKYL CARBONATES UNIVERSITY OF SOUTH FLORIDA (US) 2000-08-31 WO disclosed