SCHEMBL6896161

SCHEMBL6896161

COC(=O)c1cccc2c1c1c(O)cc(C(C)C)cc1n2Cc1ccccc1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.40
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.37
YWHAH Q04917 2/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6694748 0.91 MAPT (0.43) PLA2G2AMAPTALDH1A1TSHRTHRB
SCHEMBL6890656 0.91 THRB (0.37) MAPTALDH1A1THRBYWHAHGAA
SCHEMBL6774469 0.90 PLA2G2A (0.41) PLA2G1BPLA2G2AALDH1A1CYP1A2CYP2D6
SCHEMBL6894947 0.89 MAPT (0.41) HSP90AA1PLA2G2AMAPTALDH1A1TSHR
SCHEMBL6897168 0.87 PLA2G1B (0.44) HSP90AA1PLA2G1BPLA2G2AMAPTALDH1A1
SCHEMBL6895052 0.87 PLA2G1B (0.42) HSP90AA1PLA2G1BPLA2G2AMAPTALDH1A1
SCHEMBL6888834 0.87 HSP90AA1 (0.41) HSP90AA1PLA2G1BPLA2G2AMAPTALDH1A1
SCHEMBL6690226 0.87 PLA2G2A (0.44) HSP90AA1PLA2G1BPLA2G2AMAPTALDH1A1
SCHEMBL6896741 0.87 PLA2G2A (0.41) PLA2G1BPLA2G2AMAPTALDH1A1CYP1A2
SCHEMBL6894722 0.87 PLA2G2A (0.41) PLA2G1BPLA2G2AMAPTALDH1A1THRB

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