SCHEMBL6896074

SCHEMBL6896074

COC(=O)c1cccc2c1c1c(O)cc(C(C)C)cc1n2Cc1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
GRIN1 Q05586 3/20 0.39
GRIN2B Q13224 3/20 0.39
PTGER4 P35408 1/20 0.39
CCR2 P41597 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FEN1 P39748 1/20 0.37
HCRTR2 O43614 1/20 0.37
GPR6 P46095 1/20 0.36
FAAH O00519 1/20 0.36
CNR1 P21554 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
AR P10275 1/20 0.36
NLRP3 Q96P20 1/20 0.35
CCR3 P51677 1/20 0.35
PARG Q86W56 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6772182 0.89 ADRA1D (0.43) KLKB1KLK1PTGER4CCR2POLB
SCHEMBL6694145 0.89 KLKB1 (0.46) KLKB1KLK1GRIN1GRIN2BCCR2
SCHEMBL6886044 0.88 KLKB1 (0.42) KLKB1KLK1GRIN1GRIN2BCCR2
SCHEMBL6896662 0.88 KLKB1 (0.44) KLKB1KLK1GRIN1GRIN2BCCR2
SCHEMBL6694748 0.88 MAPT (0.43) ARKDM4EMAPT
SCHEMBL6895041 0.87 MAPT (0.45) POLBKDM4EMAPT
SCHEMBL6895364 0.86 GRIN1 (0.45) KLKB1KLK1GRIN1GRIN2BCCR2
SCHEMBL6897629 0.86 POLB (0.36) POLBFEN1MAPT
SCHEMBL6895778 0.86 PLA2G2A (0.45) PTGER4CCR2POLBMAPT
SCHEMBL6895034 0.86 L3MBTL1 (0.43) GRIN1GRIN2BPOLBKDM4EMAPT

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