SCHEMBL6691602

SCHEMBL6691602

COC(=O)c1cccc2c1c1c(n2Cc2ccccc2C(F)(F)F)CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
C5AR1 P21730 11/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
P2RX7 Q99572 1/20 0.40
KIF11 P52732 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 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
SCHEMBL6693115 0.87 FABP3 (0.45) FABP3FABP4HDAC1HDAC6POLB
SCHEMBL6774729 0.86 HDAC1 (0.45) FABP4HDAC1HDAC6P2RX7TSHR
SCHEMBL6689321 0.86 HDAC1 (0.42) FABP4C5AR1HDAC1HDAC6KDM4E
SCHEMBL6694051 0.85 HDAC1 (0.44) HDAC1HDAC6KDM4EALDH1A1MAPT
SCHEMBL6771495 0.85 C5AR1 (0.40) FABP3FABP4C5AR1P2RX7KIF11
SCHEMBL6693351 0.85 HDAC1 (0.39) FABP3FABP4HDAC1HDAC6P2RX7
SCHEMBL6691242 0.85 HDAC1 (0.46) FABP4HDAC1HDAC6P2RX7KDM4E
SCHEMBL5207833 0.84 HDAC1 (0.51) FABP3FABP4HDAC1HDAC6KDM4E
SCHEMBL6688522 0.84 HDAC1 (0.43) FABP4HDAC1HDAC6TSHRTDP1
SCHEMBL6775399 0.84 PLA2G2A (0.42) FABP4HDAC1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
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