SCHEMBL6895041

SCHEMBL6895041

COC(=O)c1cccc2c1c1c(O)cc(C(C)C)cc1n2Cc1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
THRB P10828 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 3/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL6694748 0.91 MAPT (0.43) MAPTTHRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6895778 0.89 PLA2G2A (0.45) MAPTALDH1A1POLBCYP3A4CYP2D6
SCHEMBL6895034 0.89 L3MBTL1 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL6897629 0.89 POLB (0.36) MAPTTHRBPOLBTP53
SCHEMBL6691521 0.89 MAPT (0.49) MAPTTHRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6894722 0.89 PLA2G2A (0.41) MAPTTHRBALDH1A1GAATHRA
SCHEMBL6890656 0.89 THRB (0.37) MAPTTHRBALDH1A1GAATHRA
SCHEMBL6775864 0.88 ADRA1D (0.41) MAPTTHRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6690384 0.88 MAPT (0.52) MAPTTHRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6893995 0.87 SLC6A2 (0.38) THRBALDH1A1KDM4EMEN1KMT2A

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