SCHEMBL6939367

SCHEMBL6939367

COC(=O)C1(CBr)C=CC=CC1C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL30572917 0.72 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL1549079 0.68
SCHEMBL2635389 0.67
SCHEMBL27916845 0.63
SCHEMBL15913583 0.62
SCHEMBL15924450 0.62
SCHEMBL31170982 0.62
SCHEMBL10863578 0.61
SCHEMBL28965726 0.61 HTT (0.32)
SCHEMBL27767371 0.61

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 5 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
EP-0983064-A4 PYRROLES AS sPLA2 INHIBITORS LILLY CO ELI (US) 2001-01-31 EP disclosed
EP-0983064-A1 PYRROLES AS sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2000-03-08 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
WO-1998025609-A1 PYRROLES AS sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-18 WO disclosed