SCHEMBL9258698

SCHEMBL9258698

CCCCCCCCCCCCOc1ccc(-c2ccc(C(CCC)C(=O)OCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.56
LMNA P02545 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
ACACB O00763 1/20 0.48
PLA2G4B P0C869 1/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR5A1 Q13285 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL2421065 0.91 LMNA (0.59) LMNAMMP9MMP8MMP13POLB
SCHEMBL9259691 0.87 LMNA (0.68) RARBLMNAMMP9MMP8MMP13
SCHEMBL2412575 0.84 LMNA (0.52) LMNAMMP9MMP8MMP13POLB
SCHEMBL8503477 0.83 LMNA (0.57) RARBLMNAMMP9MMP8MMP13
SCHEMBL9139904 0.81 MAPK1 (0.59) RARBLMNAMMP9MMP8MMP13
SCHEMBL8503491 0.81 LMNA (0.57) RARBLMNAMMP9MMP8MMP13
SCHEMBL8043388 0.79 SMN1; SMN2 (0.57) LMNAMMP9MMP8MMP13POLB
SCHEMBL9476471 0.77 SMN1; SMN2 (0.56) RARBLMNAMMP9MMP8MMP13
SCHEMBL9478515 0.77 KMT2A (0.59) RARBLMNAMMP9MMP8MMP13
SCHEMBL10884235 0.77 LMNA (0.49) LMNAMMP9MMP8MMP13POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5417884-A Containing a thiadiazole group BASF AKTIENGESELLSCHAFT (DE) 1995-05-23 US disclosed