SCHEMBL9244332

SCHEMBL9244332

O=C(O)CCCCc1cc(O)c(O)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
F13A1 P00488 3/20 0.43
LTB4R Q15722 2/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL31672996 0.88 MAPT (0.55) MAPTRXFP1F13A1LTB4RHDAC3
SCHEMBL10697891 0.86 SMN1; SMN2 (0.52) MAPTRXFP1F13A1HDAC3MAPK1
SCHEMBL19857034 0.82 HDAC3 (0.55) MAPTRXFP1F13A1HDAC3MAPK1
SCHEMBL8646450 0.80 CA2 (0.62) MAPTRXFP1IGF1RALOX15LTB4R
SCHEMBL11153488 0.77 CA2 (0.61) MAPTCA2
SCHEMBL10971449 0.76 IGF1R (0.46) IGF1RALOX15MAPK1
SCHEMBL8242449 0.76 MAPT (0.55) MAPTRXFP1F13A1LTB4RHDAC3
SCHEMBL7278917 0.75 TTR (0.46) MAPTRXFP1ALOX15MAPK1CA2
SCHEMBL7820835 0.75 MAPT (0.58) MAPTRXFP1IGF1RALOX15F13A1
SCHEMBL28327951 0.75 MAPT (0.58) MAPTRXFP1IGF1RALOX15F13A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1040062-C Pharmacologically active compounds, methods for the preparing thereof and compositions containing same ORION YHTYMAE OY (FI) 1998-10-07 CN disclosed
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US disclosed
US-5283352-A Transferase inhibitor ORION-YHTYMA OY (FI) 1994-02-01 US disclosed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 US disclosed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 US disclosed
CN-87108011-A New compounds with pharmacological activity, preparation method and related components thereof ORION YHTYMAE OY (FI) 1988-06-08 CN disclosed