SCHEMBL7855855

SCHEMBL7855855

O=C(O)/C=C/c1ccccc1C1=CC=CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NFKB1 P19838 1/20 0.47
CA4 P22748 1/20 0.47
PTGER3 P43115 6/20 0.47
PTGER2 P43116 6/20 0.47
PTGER1 P34995 4/20 0.47
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL16098662 1.00 CA1 (0.47) CA1CA2NFKB1CA4PTGER3
SCHEMBL9297750 0.78 NFKB1 (0.67) CA1CA2NFKB1CA4PTGER3
SCHEMBL3203702 0.77 LMNA (0.43) HTTGAASMN1; SMN2LMNA
Maleic Acid SCHEMBL27995249 0.74 TSHR (0.41) MAPTHTTHDAC3TNKSHDAC4
SCHEMBL181054 0.73 PTGER3 (0.66) CA1CA2NFKB1CA4PTGER3
SCHEMBL2433472 0.73 PTGER3 (0.66) CA1CA2NFKB1CA4PTGER3
SCHEMBL6942943 0.73
SCHEMBL69543 0.72 NFKB1 (0.75) CA1CA2NFKB1CA4PTGER3
SCHEMBL459291 0.72 NFKB1 (0.75) CA1CA2NFKB1CA4PTGER3
SCHEMBL31197561 0.72 NFKB1 (0.75) CA1CA2NFKB1CA4PTGER3

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-1109841-A1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 2001-06-27 EP disclosed
WO-2000008068-A1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 2000-02-17 WO disclosed