SCHEMBL6894729

SCHEMBL6894729

COC(=O)c1cccc2c1c1c(O)cc(C)cc1n2Cc1cccc(Cc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F10 P00742 2/20 0.39
PLA2G2A P14555 4/20 0.39
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 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
SCHEMBL6689196 0.93 GAA (0.47) MAPTGAAALDH1A1PKMTHRB
SCHEMBL6892160 0.91 PLA2G2A (0.44) MAPTGAAALDH1A1PKMTHRB
SCHEMBL6897434 0.90 MAPT (0.39) MAPTGAAALDH1A1PKMTHRB
SCHEMBL6898378 0.90 ACMSD (0.39) MAPTGAAALDH1A1PKMTHRB
SCHEMBL6889571 0.90 PLA2G2A (0.44) MAPTGAAALDH1A1PKMTHRB
SCHEMBL6888834 0.90 HSP90AA1 (0.41) MAPTGAAALDH1A1PKMTHRB
SCHEMBL6691521 0.90 MAPT (0.49) MAPTGAAALDH1A1PKMTHRB
SCHEMBL6896220 0.88 FAAH (0.43) MAPTGAAALDH1A1PKMTHRB
SCHEMBL6773103 0.88 PLA2G2A (0.44) F10PLA2G2ATP53NPSR1
SCHEMBL6890656 0.87 THRB (0.37) MAPTGAAALDH1A1PKMTHRB

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