SCHEMBL11467976

SCHEMBL11467976

CCC(O)c1cccc(Oc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
F2 P00734 4/20 0.41
F10 P00742 4/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.37
SCN9A Q15858 9/20 0.36
MAP4K4 O95819 1/20 0.36
LTA4H P09960 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.36

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
SCHEMBL10548446 0.82 F2 (0.44) LMNAF2F10PRSS1PRSS2
SCHEMBL9818071 0.82 F2 (0.44) LMNAF2F10PRSS1PRSS2
SCHEMBL9270503 0.82 F2 (0.44) LMNAF2F10PRSS1PRSS2
SCHEMBL11360231 0.82 F2 (0.46) F2F10PRSS1PRSS2PRSS3
SCHEMBL22481201 0.80 ADRB1 (0.56) LMNA
SCHEMBL23888635 0.80 CYP3A4 (0.44) LMNA
SCHEMBL17693892 0.78 F2 (0.42) F2F10PRSS1PRSS2PRSS3
SCHEMBL8972394 0.76 F2 (0.43) F2F10PRSS1PRSS2PRSS3
SCHEMBL11387393 0.76 F2 (0.40) F2F10PRSS1PRSS2PRSS3
SCHEMBL11249422 0.76 F2 (0.40) F2F10PRSS1PRSS2PRSS3

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-4226872-A Pyridyl esters of α-substituted amino acids ZOECON CORPORATION (US) 1980-10-07 US disclosed