SCHEMBL6893995

SCHEMBL6893995

COC(=O)c1cccc2c1c1c(O)cc(C(C)C)cc1n2Cc1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
F10 P00742 1/20 0.37
MEN1 O00255 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 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 0.90 MAPT (0.43) THRBKMT2AKDM4EALDH1A1MEN1
SCHEMBL6896918 0.89 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KMT2AKDM4E
SCHEMBL6778086 0.88 F10 (0.40) THRATHRBF10
SCHEMBL6898718 0.88 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KMT2AKDM4E
SCHEMBL6889596 0.88 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KMT2AKDM4E
SCHEMBL6892310 0.88 FAAH (0.41) THRBALDH1A1
SCHEMBL6894722 0.88 PLA2G2A (0.41) THRATHRBALDH1A1MAPK8
SCHEMBL6890656 0.88 THRB (0.37) THRATHRBALDH1A1F10
SCHEMBL6894708 0.87 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KMT2AKDM4E
SCHEMBL6895041 0.87 MAPT (0.45) THRATHRBKMT2AKDM4EALDH1A1

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