SCHEMBL6894818

SCHEMBL6894818

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
KIF11 P52732 5/20 0.39
TRPV1 Q8NER1 1/20 0.38
RORC P51449 2/20 0.37
P2RX7 Q99572 1/20 0.37
EPHX2 P34913 2/20 0.37
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
PPARG P37231 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HTT P42858 1/20 0.36
PTGES O14684 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6895550 0.91 KIF11 (0.42) HSP90AA1HSP90B1KIF11RORCP2RX7
SCHEMBL6777171 0.90 CYP3A4 (0.38) KIF11TRPV1RORCEPHX2PLK1
SCHEMBL6895065 0.89 LMNA (0.40) HSP90AA1HSP90B1PLK1KDM4EALDH1A1
SCHEMBL6897067 0.88 CNR1 (0.41) HSP90AA1HSP90B1PLK1KDM4EALDH1A1
SCHEMBL6895127 0.87 CNR1 (0.42) HSP90AA1HSP90B1CYP2C9KDM4EALDH1A1
SCHEMBL6892057 0.87 HSP90AA1 (0.37) HSP90AA1HSP90B1PLK1KDM4EALDH1A1
SCHEMBL5212605 0.86 MAPK8 (0.42) TRPV1PLK1ALDH1A1PPARG
SCHEMBL6898238 0.86 TRPV1 (0.46) TRPV1PLK1KDM4EALDH1A1PPARG
SCHEMBL6894406 0.86 MAPK8 (0.42) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6896241 0.86 CNR1 (0.42) HSP90AA1PLK1CYP2C9KDM4EALDH1A1

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