SCHEMBL6897569

SCHEMBL6897569

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
THRB P10828 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 3/20 0.39
GAA P10253 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F10 P00742 2/20 0.37
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPK8 P45983 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
SCHEMBL6691521 0.91 MAPT (0.49) MAPTTHRBSMN1; SMN2POLBGAA
SCHEMBL6899653 0.91 F10 (0.42) MAPTTHRBSMN1; SMN2POLBF10
SCHEMBL6895193 0.90 POLB (0.39) MAPTTHRBSMN1; SMN2POLBGAA
SCHEMBL6689196 0.89 GAA (0.47) MAPTTHRBSMN1; SMN2GAANPSR1
SCHEMBL6889569 0.88 MAPK8 (0.43) MAPTPOLBGAAALDH1A1PKM
SCHEMBL6688534 0.88 MAPT (0.45) MAPTTHRBSMN1; SMN2POLBGAA
SCHEMBL6889588 0.88 PLA2G2A (0.49) MAPTTHRBSMN1; SMN2POLBGAA
SCHEMBL6775492 0.88 PLA2G2A (0.41) POLBF10MAPK8
SCHEMBL6897629 0.87 POLB (0.36) MAPTTHRBPOLBF10P2RX7
SCHEMBL6889571 0.87 PLA2G2A (0.44) MAPTTHRBSMN1; SMN2GAAF10

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