SCHEMBL6898378

SCHEMBL6898378

COC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1cccc(Cc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.39
AR P10275 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
PLA2G2A P14555 4/20 0.38
PLA2G1B P04054 1/20 0.38
MAPK8 P45983 1/20 0.37
THRB P10828 1/20 0.37
EGFR P00533 1/20 0.37
F10 P00742 2/20 0.37
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NR4A2 P43354 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
SCHEMBL6892182 0.93 DRD2 (0.43) MAPTALDH1A1GAAPKMPLA2G2A
SCHEMBL6896588 0.93 PLA2G2A (0.44) ARMAPTALDH1A1GAAPKM
SCHEMBL6694644 0.93 AR (0.45) ARMAPTALDH1A1GAAPKM
SCHEMBL6892160 0.91 PLA2G2A (0.44) MAPTALDH1A1GAAPKMPLA2G2A
SCHEMBL6897434 0.90 MAPT (0.39) MAPTALDH1A1GAAPKMPLA2G2A
SCHEMBL6895052 0.90 PLA2G1B (0.42) ARMAPTALDH1A1GAAPKM
SCHEMBL6894729 0.90 MAPT (0.41) MAPTALDH1A1GAAPKMPLA2G2A
SCHEMBL6885056 0.90 MAPT (0.46) ARMAPTALDH1A1GAAPKM
SCHEMBL6897173 0.89 MAPT (0.44) MAPTGAAF10KDM4E
SCHEMBL6889569 0.89 MAPK8 (0.43) ARMAPTALDH1A1GAAPKM

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
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-6686369-B1 α-hydrdroxylic acid derivatives, their production and use ABBOTT GMBH & CO., KG (DE) 2004-02-03 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