SCHEMBL5022990

SCHEMBL5022990

O=C(O)CCC1Cc2ccccc2OC1(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
KDM4E B2RXH2 3/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
AKR1B1 P15121 2/20 0.35
EGFR P00533 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
APEX1 P27695 1/20 0.33
HPGD P15428 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL9691921 0.76 HTT (0.35) HTTKDM4ETSHRSMN1; SMN2HPGD
SCHEMBL4522017 0.73 HTT (0.63) HTTKDM4ETSHRSMN1; SMN2FFAR4
SCHEMBL5914697 0.71 MAOB (0.38) TSHRHPGD
SCHEMBL7557445 0.70 MAOA (0.39) TSHRHPGD
SCHEMBL30146748 0.70 MAOA (0.39) TSHRHPGD
SCHEMBL3283381 0.69 NFKB1 (0.39) KDM4EMAPT
SCHEMBL29615809 0.69 NFKB1 (0.39) KDM4EMAPT
SCHEMBL9690440 0.69 SMN1; SMN2 (0.34) HTTKDM4ETSHRSMN1; SMN2POLB
SCHEMBL28970780 0.69 KMT2A (0.34) HTTAKR1B1HPGDMEN1POLB
SCHEMBL5022994 0.69 GRM7 (0.35) TSHRSMN1; SMN2HPGDMEN1MAPT

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
EP-1931995-A2 METHODS FOR THE DIAGNOSIS OF COLORECTAL CANCER AND OVARIAN CANCER HEALTH STATES Phenomenome Discoveries Inc. (CA) 2008-06-18 EP disclosed
WO-2007030928-A2 METHOD FOR THE DIAGNOSIS OF COLORECTAL CANCER AND OVARIAN CANCER BY THE MEASUREMENT OF VITAMIN E-RELATED METABOLITES PHENOMENOME DISCOVERIES INC. (CA) 2007-03-22 WO disclosed