SCHEMBL6896800

SCHEMBL6896800

CCCCCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3cccc(C)c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
THRB P10828 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 3/20 0.39
AGTR1 P30556 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5212605 0.92 MAPK8 (0.42) MAPTTHRBALDH1A1GAAAGTR1
SCHEMBL6889689 0.90 MAPT (0.47) MAPTTHRBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6889327 0.90 MAPT (0.41) MAPTSMN1; SMN2CNR2ALDH1A1L3MBTL1
SCHEMBL6891901 0.90 PLA2G2A (0.43) MAPTTHRBCNR1CNR2POLB
SCHEMBL6897945 0.90 POLB (0.36) ALDH1A1POLBCYP2D6CYP2C19
SCHEMBL6888047 0.89 CNR1 (0.38) MAPTCNR1CNR2ALDH1A1MEN1
SCHEMBL6889205 0.89 MAPK8 (0.41) AGTR1
SCHEMBL6770304 0.89 CNR1 (0.42) MAPTCNR1CNR2ALDH1A1L3MBTL1
SCHEMBL6897075 0.88 CETP (0.41) ALDH1A1
SCHEMBL6897854 0.88 KLKB1 (0.39) POLB

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