SCHEMBL6897067

SCHEMBL6897067

CCCCCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3ccccc3C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 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
SCHEMBL6896241 0.91 CNR1 (0.42) CNR1CNR2MAPTALDH1A1MEN1
SCHEMBL6894723 0.90 MAPT (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6895065 0.90 LMNA (0.40) CNR2MAPTALDH1A1MEN1KMT2A
SCHEMBL6892057 0.90 HSP90AA1 (0.37) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL6895127 0.90 CNR1 (0.42) CNR1CNR2MAPTALDH1A1MEN1
SCHEMBL6778663 0.90 CNR2 (0.42) CNR1CNR2MAPTALDH1A1MEN1
SCHEMBL5212605 0.90 MAPK8 (0.42) MAPTALDH1A1GAATSHRPLA2G2A
SCHEMBL6894406 0.89 MAPK8 (0.42) CNR1CNR2MAPTALDH1A1MEN1
SCHEMBL6893816 0.88 PLA2G2A (0.42) PLA2G2A
SCHEMBL6888714 0.88 TSPO (0.39) MAPTLMNAL3MBTL1

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