SCHEMBL6899176

SCHEMBL6899176

COC(=O)c1cccc2c1c1c(O)cc(C(C)C)cc1n2Cc1ccccc1Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.41
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
YWHAH Q04917 2/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6772343 0.91 CTNNB1 (0.40)
SCHEMBL6888939 0.88 TSPO (0.42) TSPOKDM4EHSD17B10RAB9ALMNA
SCHEMBL6895266 0.88 TSPO (0.42) TSPOKDM4EHSD17B10RAB9ALMNA
SCHEMBL6891056 0.88 TSPO (0.42) TSPOKDM4EHSD17B10RAB9ALMNA
SCHEMBL6889316 0.88 TSPO (0.47) TSPOKDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL6892310 0.87 FAAH (0.41) YWHAHALDH1A1MAPT
SCHEMBL6894947 0.86 MAPT (0.41) KDM4EHSD17B10ALDH1A1LMNAL3MBTL1
SCHEMBL6694748 0.86 MAPT (0.43) KDM4EYWHAHALDH1A1MEN1KMT2A
SCHEMBL6896741 0.85 PLA2G2A (0.41) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6896161 0.85 HSP90AA1 (0.40) YWHAHALDH1A1L3MBTL1MAPTNPSR1

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