SCHEMBL6771899

SCHEMBL6771899

Cc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3Oc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.43
BRD4 O60885 2/20 0.39
PLA2G2A P14555 9/20 0.38
PLA2G1B P04054 2/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SYK P43405 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6891056 0.90 TSPO (0.42) PTGDR2
SCHEMBL6773208 0.90 CTNNB1 (0.42) CTNNB1BRD4PLA2G2APLA2G1BPLA2G10
SCHEMBL6776025 0.89 CTNNB1 (0.43) CTNNB1BRD4PLA2G2APLA2G1BPLA2G10
SCHEMBL6774146 0.89 CTNNB1 (0.49) CTNNB1PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL6772343 0.88 CTNNB1 (0.40) CTNNB1BRD4PLA2G2APLA2G1BPLA2G10
SCHEMBL7966138 0.87 PLA2G2A (0.49) PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL6772666 0.86 CTNNB1 (0.41) CTNNB1PLA2G2A
SCHEMBL6776978 0.85 PLA2G2A (0.42) PLA2G2APLA2G1BPLA2G10PLA2G5SIRT2
SCHEMBL6775835 0.85 CCR8 (0.41) CTNNB1BRD4PLA2G2APLA2G1BPTGDR2
SCHEMBL6773425 0.85 PLA2G2A (0.42) PLA2G2ASIRT2SMN1; SMN2

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