SCHEMBL6899653

SCHEMBL6899653

COC(=O)c1cccc2c1c1c(O)cccc1n2Cc1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
PLA2G2A P14555 2/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
P2RX7 Q99572 1/20 0.40
MAPK8 P45983 2/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
P2RX1 P51575 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL6895193 0.91 POLB (0.39) F10POLBMAOBMAOAP2RX7
SCHEMBL6897569 0.91 MAPT (0.40) F10POLBMAOBMAOAP2RX7
SCHEMBL6889569 0.89 MAPK8 (0.43) PLA2G2APOLBMAPK8MAPTMTNR1A
SCHEMBL6897629 0.88 POLB (0.36) F10POLBMAOBMAOAP2RX7
SCHEMBL6690384 0.87 MAPT (0.52) F10PLA2G2ALMNATSHRPOLB
SCHEMBL5210919 0.87 PLA2G2A (0.52) PLA2G2ALMNATSHRMAPTTHRB
SCHEMBL6689284 0.86 L3MBTL1 (0.49) F10PLA2G2ALMNATSHRPOLB
SCHEMBL6694412 0.86 PLA2G2A (0.56) F10PLA2G2APOLBMAPTTHRB
SCHEMBL6691704 0.86 F10 (0.42) F10PLA2G2ALMNATSHRPOLB
SCHEMBL6897098 0.86 CYP19A1 (0.44) PLA2G2APOLBP2RX7MAPK8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed