SCHEMBL6770697

SCHEMBL6770697

NC(=O)c1cccc2c1c1c(O)cccc1n2Cc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.46
CTRB1 P17538 1/20 0.45
PLA2G2A P14555 2/20 0.44
CCR2 P41597 1/20 0.43
PLA2G10 O15496 1/20 0.42
VDR P11473 1/20 0.42
SOX18 P35713 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
ALOX5 P09917 1/20 0.39
ICMT O60725 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL6775883 0.89 CTRB1 (0.41) F10CTRB1PLA2G2ACCR2PLA2G10
SCHEMBL6782681 0.89 ICMT (0.41) F10CTRB1PLA2G2ACCR2PLA2G10
SCHEMBL6777431 0.88 PARP1 (0.41) F10CTRB1PLA2G2ACCR2PLA2G10
SCHEMBL6778086 0.87 F10 (0.40) F10CTRB1PLA2G2ACCR2PLA2G10
SCHEMBL6772036 0.86 CCR2 (0.41) F10CTRB1PLA2G2ACCR2ICMT
SCHEMBL6896918 0.85 SLC6A2 (0.43) F10PLA2G2AVDRKDM4ETSHR
SCHEMBL5212989 0.85 PLA2G2A (0.58) F10PLA2G2APLA2G10KDM4EALDH1A1
SCHEMBL6776370 0.84 PPARG (0.44) F10CTRB1
SCHEMBL6777891 0.83 PLA2G2A (0.49) F10PLA2G2APLA2G10KDM4EALDH1A1
SCHEMBL6775943 0.83 PLA2G2A (0.49) F10PLA2G2APLA2G10KDM4EALDH1A1

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