SCHEMBL6886044

SCHEMBL6886044

CCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3cccc(C#N)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
CCR2 P41597 1/20 0.40
GPR6 P46095 1/20 0.40
FEN1 P39748 1/20 0.39
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
FAAH O00519 1/20 0.38
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 2/20 0.37
AR P10275 1/20 0.37
CCR3 P51677 1/20 0.36
HCRTR2 O43614 1/20 0.36
PARG Q86W56 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 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
SCHEMBL6897854 0.91 KLKB1 (0.39) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6694145 0.91 KLKB1 (0.46) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6896662 0.90 KLKB1 (0.44) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6772821 0.89 ADRA1D (0.44) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6895364 0.89 GRIN1 (0.45) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6896074 0.88 KLKB1 (0.41) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6894814 0.87 MAPT (0.44) KDM4EMAPT
SCHEMBL6895025 0.86 GRIN1 (0.45) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6889689 0.86 MAPT (0.47) POLBKDM4EMAPT
SCHEMBL6895418 0.85 L3MBTL1 (0.45) POLBGRIN1GRIN2BKDM4EMAPT

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