SCHEMBL6896006

SCHEMBL6896006

COC(=O)c1cccc2c1c1c(O)cc(C)cc1n2Cc1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.42
KIF11 P52732 6/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90B1 P14625 1/20 0.41
P2RX7 Q99572 1/20 0.41
EPHX2 P34913 2/20 0.40
CYP2C9 P11712 1/20 0.40
PPARG P37231 1/20 0.39
P2RY14 Q15391 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
RBP4 P02753 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
ECE1 P42892 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
SCHEMBL6694438 0.90 P2RX7 (0.44) RORCKIF11HSP90AA1HSP90B1P2RX7
SCHEMBL6895550 0.89 KIF11 (0.42) RORCKIF11HSP90AA1HSP90B1P2RX7
SCHEMBL6774832 0.89 CD38 (0.44) RORCKIF11EPHX2CYP2C9PPARG
SCHEMBL6894778 0.88 KIF11 (0.41) RORCKIF11HSP90AA1HSP90B1P2RX7
SCHEMBL6898392 0.87 L3MBTL1 (0.44) RORCHSP90AA1HSP90B1P2RX7KDM4E
SCHEMBL6892544 0.87 MAPT (0.44) HSP90AA1HSP90B1KDM4EMEN1KMT2A
SCHEMBL6897102 0.86 HSP90AA1 (0.42) RORCKIF11HSP90AA1HSP90B1P2RX7
SCHEMBL6894986 0.85 HSP90AA1 (0.38) HSP90AA1HSP90B1KDM4EMEN1KMT2A
SCHEMBL6897295 0.85 MAPT (0.48) CYP2C9KDM4EMEN1KMT2ANPSR1
SCHEMBL6894818 0.85 HSP90AA1 (0.39) RORCKIF11HSP90AA1HSP90B1P2RX7

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