SCHEMBL6776550

SCHEMBL6776550

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.41
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
MAPK8 P45983 1/20 0.38
PPARG P37231 3/20 0.38
CCR2 P41597 1/20 0.38
FEN1 P39748 1/20 0.37
POLB P06746 1/20 0.36
HTR2B P41595 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
PLA2G2A P14555 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
PPARA Q07869 1/20 0.34
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
FAAH O00519 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL6772821 0.90 ADRA1D (0.44) ADRA1DKLKB1KLK1MAPK8CCR2
SCHEMBL6897854 0.90 KLKB1 (0.39) KLKB1KLK1CCR2FEN1POLB
SCHEMBL5212214 0.88 PPARG (0.46) PPARGPLA2G2APPARA
SCHEMBL6770304 0.87 CNR1 (0.42) ADRA1DMAPK8PPARGPLA2G2APPARA
SCHEMBL6773827 0.86 PPARG (0.39) MAPK8PPARGFEN1POLBPLA2G2A
SCHEMBL6775871 0.86 LMNA (0.40) MAPK8PPARGPOLBPLA2G2APPARA
SCHEMBL6774931 0.86 PLA2G2A (0.48) ADRA1DPPARGCCR2PLA2G2A
SCHEMBL7966230 0.86 PLA2G2A (0.44) ADRA1DKLKB1KLK1PPARGPLA2G2A
SCHEMBL6781319 0.85 PPARG (0.42) KLKB1KLK1PPARGPLA2G2APPARA
SCHEMBL6776320 0.85 PPARG (0.41) KLK1PPARGPLA2G2APPARA

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