SCHEMBL6774281

SCHEMBL6774281

Cc1ccccc1Cn1c2cc(C(C)C)cc(O)c2c2c(C(N)=O)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PARP1 P09874 1/20 0.38
CD38 P28907 1/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
HIF1A Q16665 1/20 0.36
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
SCHEMBL6774469 0.89 PLA2G2A (0.41) PLA2G2AALDH1A1KDM4EGAALMNA
SCHEMBL6770455 0.89 CD38 (0.38) PLA2G2AALDH1A1MEN1KMT2ANPSR1
SCHEMBL6775004 0.89 ALDH1A1 (0.42) PLA2G2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL6894947 0.89 MAPT (0.41) PLA2G2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL6776187 0.89 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6775683 0.88 PLA2G1B (0.41) PLA2G2AMEN1KMT2AKDM4ELMNA
SCHEMBL6773425 0.87 PLA2G2A (0.42) PLA2G2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL6777538 0.87 PLA2G2A (0.44) PLA2G2AKCNH2
SCHEMBL6689186 0.86 PLA2G2A (0.46) PLA2G2APARP1
SCHEMBL6781858 0.86 TSHR (0.45) ALDH1A1MEN1KMT2AKDM4EMAPT

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