SCHEMBL6890571

SCHEMBL6890571

CCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3ccccc3Cl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.45
PTGER3 P43115 5/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 3/20 0.42
TNF P01375 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6895127 0.91 CNR1 (0.42) MAPTTP53PTGER3ALDH1A1MEN1
SCHEMBL6771810 0.90 ALDH1A1 (0.42) MAPTPTGER3ALDH1A1MEN1KMT2A
SCHEMBL6894814 0.89 MAPT (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6894723 0.89 MAPT (0.45) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL6897295 0.89 MAPT (0.48) MAPTTP53PTGER3ALDH1A1MEN1
SCHEMBL6688455 0.88 MAPT (0.48) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL6894916 0.88 MAPT (0.45) MAPTTP53PTGER3ALDH1A1MEN1
SCHEMBL6892764 0.88 LMNA (0.44) MAPTTP53PTGER3ALDH1A1MEN1
SCHEMBL6892130 0.88 HSP90AA1 (0.38) MAPTTP53PTGER3ALDH1A1MEN1
SCHEMBL6896536 0.87 MAPK8 (0.47) MAPTALDH1A1MEN1KMT2AKDM4E

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