SCHEMBL6776978

SCHEMBL6776978

Cc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(Oc4ccccc4)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.42
FAAH O00519 3/20 0.41
CCR8 P51685 1/20 0.40
PLA2G1B P04054 3/20 0.39
PLA2G10 O15496 2/20 0.39
PLA2G5 P39877 2/20 0.39
PLA2G2E Q9NZK7 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KLK1 P06870 1/20 0.38

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
SCHEMBL6775435 0.90 PLA2G2A (0.40) PLA2G2AFAAHCCR8SIRT2SIRT1
SCHEMBL6696960 0.90 PLA2G2A (0.47) PLA2G2AFAAHCCR8PLA2G10SIRT2
SCHEMBL6690357 0.90 PLA2G2A (0.51) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6896220 0.89 FAAH (0.43) FAAHCCR8KDM4EALDH1A1LMNA
SCHEMBL6770280 0.89 PLA2G2A (0.40) PLA2G2AFAAHCCR8PLA2G1BPLA2G10
SCHEMBL6771968 0.88 PLA2G2A (0.38) PLA2G2AFAAHCCR8SIRT2SIRT1
SCHEMBL6776997 0.87 PLA2G2A (0.48) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6773103 0.87 PLA2G2A (0.44) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL13893632 0.87 CCR8 (0.43) PLA2G2AFAAHCCR8PLA2G1BSIRT2
SCHEMBL6691732 0.87 ADRA1D (0.44) PLA2G2AALDH1A1SMN1; SMN2MEN1KMT2A

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