SCHEMBL6937660

SCHEMBL6937660

Cc1c(CCCCC(=O)O)c(NC(=O)C=O)c(C)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PLA2G2A P14555 9/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
GFER P55789 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
SCHEMBL8481262 0.77 PLA2G2A (0.44) MEN1KMT2APLA2G2ALMNAALDH1A1
SCHEMBL6937011 0.73 PLA2G2A (0.59) MEN1KMT2APLA2G2ALMNATSHR
SCHEMBL4414249 0.69 LMNA (0.52) MEN1KMT2APLA2G2ALMNAALDH1A1
5-Phenylvaleric Acid SCHEMBL503601 0.64 MAPT (0.96) LMNAMAPTRXFP1TSHRSMN1; SMN2
Formic Acid SCHEMBL6511593 0.64 MAPT (0.85) LMNAMAPTRXFP1TSHRSMN1; SMN2
SCHEMBL2553009 0.63 MAPT (1.00) LMNAMAPTRXFP1TSHRSMN1; SMN2
SCHEMBL503837 0.63 MAPT (1.00) LMNAMAPTRXFP1TSHRSMN1; SMN2
SCHEMBL1008045 0.63 MAPT (1.00) LMNAMAPTRXFP1TSHRSMN1; SMN2
SCHEMBL2555645 0.63 MAPT (1.00) LMNAMAPTRXFP1TSHRSMN1; SMN2
SCHEMBL770290 0.63 MAPT (1.00) LMNAMAPTRXFP1TSHRSMN1; SMN2

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-0983064-B1 PYRROLES AS sPLA2 INHIBITORS LILLY CO ELI (US) 2003-08-06 EP disclosed
US-5919774-A NOVEL COMPOUNDS SUCH AS 2-(1-BENZYL-2,5-DIMETHYL-4-(2-CARBOXYPHENYLMETHYL)PYRROL-3-YL) GLYOXAMIDE FOR INHIBITING HUMAN NONPANCREATIC SECRETORY PHOSPHOLIPASE A2 (SPLA2) MEDIATED RELEASE OF FATTY ACIDS IN A MAMMAL ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed