SCHEMBL11432157

SCHEMBL11432157

COc1c(C)cccc1C(CC(=O)O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSA P10619 17/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL9468394 0.80 CTSA (0.43) CTSAL3MBTL1POLBHTTNPSR1
SCHEMBL658439 0.79 GABBR2 (0.48) CTSAL3MBTL1POLBHTTNPSR1
SCHEMBL30781885 0.79 GABBR2 (0.48) CTSAL3MBTL1POLBHTTNPSR1
SCHEMBL8407354 0.77 POLB (0.49) L3MBTL1POLBHTTNPSR1SMN1; SMN2
SCHEMBL18150761 0.76 POLB (0.73) CTSAL3MBTL1POLBHTTNPSR1
SCHEMBL30781902 0.76 POLB (0.73) CTSAL3MBTL1POLBHTTNPSR1
SCHEMBL19143619 0.76 GAA (0.51) L3MBTL1POLBHTTNPSR1SMN1; SMN2
SCHEMBL1261369 0.76 KMT2A (0.44) CTSAL3MBTL1POLBHTTNPSR1
SCHEMBL657343 0.74 CTSA (0.42) CTSAL3MBTL1POLBHTTNPSR1
SCHEMBL2794839 0.73 CTSA (0.49) CTSA

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-4221725-A CHEMICAL INTERMEDIATE E. R. SQUIBB & SONS, INC. (US) 1980-09-09 US disclosed