SCHEMBL6897168

SCHEMBL6897168

CCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3ccccc3Cc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.44
PLA2G2A P14555 1/20 0.44
HSP90AA1 P07900 10/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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) PLA2G1BPLA2G2AHSP90AA1ALDH1A1MAPT
SCHEMBL6894814 0.91 MAPT (0.44) PLA2G2AALDH1A1MAPTTSHRNPSR1
SCHEMBL6897434 0.90 MAPT (0.39) PLA2G2AALDH1A1MAPTTSHRMEN1
SCHEMBL6888834 0.90 HSP90AA1 (0.41) PLA2G1BPLA2G2AHSP90AA1ALDH1A1MAPT
SCHEMBL6895052 0.90 PLA2G1B (0.42) PLA2G1BPLA2G2AHSP90AA1ALDH1A1MAPT
SCHEMBL6776234 0.90 PLA2G2A (0.47) PLA2G1BPLA2G2A
SCHEMBL6894723 0.90 MAPT (0.45) PLA2G2AHSP90AA1ALDH1A1MAPTTSHR
SCHEMBL6690226 0.90 PLA2G2A (0.44) PLA2G1BPLA2G2AHSP90AA1ALDH1A1MAPT
SCHEMBL6896161 0.87 HSP90AA1 (0.40) PLA2G1BPLA2G2AHSP90AA1ALDH1A1MAPT
SCHEMBL6890366 0.87 PLA2G2A (0.45) PLA2G1BPLA2G2AALDH1A1MAPTCYP1A2

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