SCHEMBL6894947

SCHEMBL6894947

COC(=O)c1cccc2c1c1c(O)cc(C(C)C)cc1n2Cc1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLA2G2A P14555 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 4/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 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
SCHEMBL6896161 0.89 HSP90AA1 (0.40) MAPTALDH1A1NPSR1GAATDP1
SCHEMBL6898120 0.89 HSP90AA1 (0.37) MAPTALDH1A1KDM4ENPSR1MEN1
SCHEMBL6898407 0.89 YWHAH (0.43) MAPTALDH1A1KDM4ENPSR1MEN1
SCHEMBL6887085 0.89 MAPT (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6774281 0.89 PLA2G2A (0.40) MAPTALDH1A1KDM4ENPSR1MEN1
SCHEMBL6894579 0.88 MAPK8 (0.45) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6694748 0.88 MAPT (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6892544 0.88 MAPT (0.44) MAPTALDH1A1KDM4ENPSR1MEN1
SCHEMBL6896741 0.87 PLA2G2A (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6891308 0.87 TSHR (0.42) ALDH1A1KDM4ELMNASMN1; SMN2TSHR

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