SCHEMBL6866716

SCHEMBL6866716

O=C(O)CCCCCCCCCCCCCC1=CC(O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KMT2A Q03164 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
SLC6A3 Q01959 2/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2C P28335 1/20 0.41
TBXAS1 P24557 5/20 0.40

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
SCHEMBL2463719 1.00 MAPT (0.50) MAPTRXFP1KMT2AHDAC3HDAC4
SCHEMBL17221909 1.00 MAPT (0.50) MAPTRXFP1KMT2AHDAC3HDAC4
SCHEMBL17417245 1.00 MAPT (0.50) MAPTRXFP1KMT2AHDAC3HDAC4
Acetic Acid SCHEMBL9526438 0.96 RXFP1 (0.46) MAPTRXFP1KMT2AHDAC3HDAC4
SCHEMBL2426303 0.88 KEAP1 (0.44) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL2530115 0.78 AKR1B1 (0.41) MAPTHDAC3HDAC4HDAC7HDAC8
SCHEMBL28062991 0.69 KMT2A (0.57) MAPTRXFP1KMT2AHDAC3HDAC4
SCHEMBL11817887 0.69 MAPT (0.51) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL2553009 0.68 MAPT (1.00) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL1008045 0.68 MAPT (1.00) MAPTRXFP1HDAC3HDAC4HDAC1

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
WO-2004078118-A2 PROTEIN KINASE C INHIBITOR, RELATED COMPOSITION, AND METHOD OF USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-09-16 WO disclosed
WO-2003059943-A2 CONFORMATION-SPECIFIC, PROTEIN KINASE BINDING PEPTIDES AND RELATED METHODS AND PRODUCTS KARO BIO AB (SE) 2003-07-24 WO disclosed