SCHEMBL6892130

SCHEMBL6892130

CCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3ccccc3Br)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90B1 P14625 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 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
SCHEMBL6892057 0.91 HSP90AA1 (0.37) HSP90AA1HSP90B1HPGDALDH1A1MEN1
SCHEMBL6776238 0.90 CD38 (0.38) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6894723 0.89 MAPT (0.45) HSP90AA1HSP90B1HPGDALDH1A1MEN1
SCHEMBL6894986 0.89 HSP90AA1 (0.38) HSP90AA1HSP90B1HPGDALDH1A1MEN1
SCHEMBL6888996 0.88 TSHR (0.46) HSP90AA1HSP90B1HPGDALDH1A1MEN1
SCHEMBL6894500 0.88 PTGDR2 (0.39) HSP90AA1HSP90B1HPGDALDH1A1MEN1
SCHEMBL6892764 0.88 LMNA (0.44) HSP90AA1HSP90B1ALDH1A1MEN1KMT2A
SCHEMBL6890571 0.88 MAPT (0.45) HSP90AA1HSP90B1HPGDALDH1A1MEN1
SCHEMBL6894814 0.87 MAPT (0.44) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6897168 0.87 PLA2G1B (0.44) HSP90AA1HPGDALDH1A1MEN1KMT2A

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