SCHEMBL6898407

SCHEMBL6898407

COC(=O)c1cccc2c1c1c(O)cc(C(C)C)cc1n2Cc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YWHAH Q04917 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL6894947 0.89 MAPT (0.41) L3MBTL1LMNAALDH1A1KDM4EKMT2A
SCHEMBL6776187 0.89 ALDH1A1 (0.42) YWHAHL3MBTL1LMNAALDH1A1KDM4E
SCHEMBL6887085 0.88 MAPT (0.44) L3MBTL1LMNAALDH1A1KDM4EKMT2A
SCHEMBL6898120 0.88 HSP90AA1 (0.37) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL6894778 0.88 KIF11 (0.41) ALDH1A1KDM4ECYP2C9HSP90AA1HSP90B1
SCHEMBL6894579 0.87 MAPK8 (0.45) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL6694748 0.87 MAPT (0.43) YWHAHALDH1A1KDM4EKMT2AMEN1
SCHEMBL6898392 0.87 L3MBTL1 (0.44) L3MBTL1LMNAALDH1A1KDM4EKMT2A
SCHEMBL6896161 0.87 HSP90AA1 (0.40) YWHAHL3MBTL1ALDH1A1MAPTCYP1A2
SCHEMBL6896741 0.87 PLA2G2A (0.41) ALDH1A1KDM4EKMT2AMEN1MAPT

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