SCHEMBL6895550

SCHEMBL6895550

CCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3ccccc3C(F)(F)F)c2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.42
HSP90AA1 P07900 1/20 0.40
HSP90B1 P14625 1/20 0.40
RORC P51449 3/20 0.40
P2RX7 Q99572 1/20 0.40
EPHX2 P34913 3/20 0.40
CYP2C9 P11712 1/20 0.39
PPARG P37231 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGES O14684 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
RBP4 P02753 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
SCHEMBL6894818 0.91 HSP90AA1 (0.39) KIF11HSP90AA1HSP90B1RORCP2RX7
SCHEMBL6780469 0.90 CYP3A4 (0.41) KIF11RORCEPHX2CYP2C9PPARG
SCHEMBL6896006 0.89 RORC (0.42) KIF11HSP90AA1HSP90B1RORCP2RX7
SCHEMBL6694438 0.89 P2RX7 (0.44) KIF11HSP90AA1HSP90B1RORCP2RX7
SCHEMBL6892764 0.87 LMNA (0.44) HSP90AA1HSP90B1P2RX7CYP2C9KDM4E
SCHEMBL6894778 0.87 KIF11 (0.41) KIF11HSP90AA1HSP90B1RORCP2RX7
SCHEMBL6894723 0.86 MAPT (0.45) HSP90AA1HSP90B1KDM4EALDH1A1HTT
SCHEMBL6897102 0.85 HSP90AA1 (0.42) KIF11HSP90AA1HSP90B1RORCP2RX7
SCHEMBL6892130 0.85 HSP90AA1 (0.38) HSP90AA1HSP90B1KDM4EALDH1A1HTT
SCHEMBL6890571 0.85 MAPT (0.45) HSP90AA1HSP90B1CYP2C9KDM4EALDH1A1

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