SCHEMBL8858112

SCHEMBL8858112

O=CC(=O)CCCCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
HDAC1 Q13547 7/20 0.64
HDAC2 Q92769 4/20 0.64
ALOX5 P09917 2/20 0.64
FAAH O00519 3/20 0.57
CES1 P23141 3/20 0.57
HDAC3 O15379 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
MAPK1 P28482 1/20 0.55
ADRA1A P35348 1/20 0.55
HDAC4 P56524 1/20 0.55
SLC6A3 Q01959 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55

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
SCHEMBL28721538 0.98 MAPT (0.63) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL15941625 0.86 MAPT (0.50) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL2322246 0.84 KEAP1 (0.61) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL13892460 0.84 MAPT (0.65) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL24504176 0.81 MAPT (0.61) MAPTRXFP1HDAC1HDAC2ALOX5
Formic Acid SCHEMBL6511593 0.81 MAPT (0.85) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL1008045 0.80 MAPT (1.00) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL770290 0.80 MAPT (1.00) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL2553009 0.80 MAPT (1.00) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL2555645 0.80 MAPT (1.00) MAPTRXFP1HDAC1HDAC2ALOX5

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-5663318-A WHEREIN POLYNUCLEOTIDE MEMBERS BOUND TO SUBSTRATE ARE HYBRIDIZABLE WITH TARGET POLYNUCLEOTIDE TO IMMOBILIZE AND DETECT IT PEGG RANDALL KEVIN (US) 1997-09-02 US disclosed
US-5436147-A Hydrophobic group on molecule for bonding to substrate NUCLEIC ASSAYS CORPORATION (US) 1995-07-25 US disclosed