SCHEMBL6897854

SCHEMBL6897854

CCCCCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3cccc(C#N)c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
CCR2 P41597 1/20 0.36
FEN1 P39748 1/20 0.36
GPR6 P46095 1/20 0.35
MDH1 P40925 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
APLNR P35414 1/20 0.35
HTR2B P41595 1/20 0.35
FAAH O00519 1/20 0.35
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
AR P10275 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL6886044 0.91 KLKB1 (0.42) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6776550 0.90 ADRA1D (0.41) KLKB1KLK1POLBRXFP1CCR2
SCHEMBL5212605 0.88 MAPK8 (0.42)
SCHEMBL6896800 0.88 MAPT (0.43) POLB
SCHEMBL6897945 0.87 POLB (0.36) POLBMDH1
SCHEMBL6891901 0.87 PLA2G2A (0.43) POLBCCR2
SCHEMBL6889327 0.87 MAPT (0.41) POLBGRIN1GRIN2B
SCHEMBL6895661 0.86 NOX4 (0.39) RXFP1GRIN1GRIN2B
SCHEMBL6694145 0.86 KLKB1 (0.46) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6889205 0.86 MAPK8 (0.41) KLKB1KLK1

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