SCHEMBL6889689

SCHEMBL6889689

CCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3cccc(C)c3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
THRB P10828 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SRC P12931 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38

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
SCHEMBL6691521 0.92 MAPT (0.49) MAPTTHRBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6894814 0.90 MAPT (0.44) MAPTTHRBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6896800 0.90 MAPT (0.43) MAPTTHRBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6690384 0.90 MAPT (0.52) MAPTTHRBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6895193 0.89 POLB (0.39) MAPTTHRBSMN1; SMN2L3MBTL1GAA
SCHEMBL6893888 0.89 PLA2G2A (0.47) MAPTTHRBSMN1; SMN2ALDH1A1MEN1
SCHEMBL6895418 0.89 L3MBTL1 (0.45) MAPTSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL6774766 0.88 ALDH1A1 (0.43) MAPTTHRBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6885056 0.88 MAPT (0.46) MAPTTHRBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6897434 0.88 MAPT (0.39) MAPTTHRBALDH1A1MEN1KMT2A

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