SCHEMBL6894778

SCHEMBL6894778

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
RORC P51449 2/20 0.39
P2RX7 Q99572 1/20 0.39
EPHX2 P34913 2/20 0.39
ALOX5AP P20292 2/20 0.38
CYP2C9 P11712 1/20 0.38
PPARG P37231 1/20 0.38
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
RBP4 P02753 1/20 0.36
ECE1 P42892 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6775269 0.90 CYP3A4 (0.40) KIF11RORCEPHX2ALOX5APCYP2C9
SCHEMBL6896006 0.88 RORC (0.42) KIF11HSP90AA1HSP90B1RORCP2RX7
SCHEMBL6898407 0.88 YWHAH (0.43) HSP90AA1HSP90B1P2RX7CYP2C9ECE1
SCHEMBL6694438 0.87 P2RX7 (0.44) KIF11HSP90AA1HSP90B1RORCP2RX7
SCHEMBL6895550 0.87 KIF11 (0.42) KIF11HSP90AA1HSP90B1RORCP2RX7
SCHEMBL6894947 0.87 MAPT (0.41) HSP90AA1HSP90B1TDP1KDM4EALDH1A1
SCHEMBL6887085 0.86 MAPT (0.44) HSP90AA1HSP90B1ALOX5APCYP2C9TDP1
SCHEMBL6898120 0.86 HSP90AA1 (0.37) HSP90AA1HSP90B1KDM4EALDH1A1HTT
SCHEMBL6894579 0.85 MAPK8 (0.45) TDP1KDM4EALDH1A1HTT
SCHEMBL6694748 0.84 MAPT (0.43) KDM4EALDH1A1

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