SCHEMBL6778086

SCHEMBL6778086

CC(C)c1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccc4ccccc4c3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.40
CTRB1 P17538 1/20 0.39
CCR2 P41597 1/20 0.38
THRA P10827 3/20 0.37
THRB P10828 3/20 0.37
PLA2G10 O15496 1/20 0.37
ICMT O60725 2/20 0.36
VDR P11473 1/20 0.36
PLA2G2A P14555 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PPARG P37231 1/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PLG P00747 1/20 0.35
KLK1 P06870 1/20 0.35
KLK6 Q92876 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL6689186 0.90 PLA2G2A (0.46) PLA2G10PLA2G2APPARG
SCHEMBL6893995 0.88 SLC6A2 (0.38) F10THRATHRB
SCHEMBL6782681 0.88 ICMT (0.41) F10CTRB1CCR2THRATHRB
SCHEMBL6770697 0.87 F10 (0.46) F10CTRB1CCR2PLA2G10ICMT
SCHEMBL6780031 0.87 PLA2G2A (0.44) F10PLA2G10PLA2G2APPARGKLK1
SCHEMBL6774350 0.87 PLA2G2A (0.40) F10THRATHRBPLA2G10PLA2G2A
SCHEMBL6775864 0.87 ADRA1D (0.41) F10THRATHRBPLA2G2A
SCHEMBL6777431 0.87 PARP1 (0.41) F10CTRB1CCR2PLA2G10ICMT
SCHEMBL6771968 0.87 PLA2G2A (0.38) PLA2G2A
SCHEMBL6775770 0.86 F10 (0.39) F10PLA2G2AF2

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