SCHEMBL6896588

SCHEMBL6896588

COC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.44
PLA2G1B P04054 1/20 0.44
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
EGFR P00533 1/20 0.41
NR4A2 P43354 1/20 0.41
AR P10275 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
MAPK8 P45983 1/20 0.39
FAAH O00519 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
F10 P00742 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 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
SCHEMBL6694644 0.96 AR (0.45) PLA2G2AEGFRARMAPTALDH1A1
SCHEMBL6894303 0.94 DRD2 (0.44) PLA2G2APLA2G1BKLKB1KLK1EGFR
SCHEMBL6897627 0.94 PLA2G2A (0.46) PLA2G2APLA2G1BKLKB1KLK1EGFR
SCHEMBL6897303 0.93 PLA2G2A (0.42) PLA2G2APLA2G1BKLKB1KLK1EGFR
SCHEMBL6885056 0.93 MAPT (0.46) PLA2G2APLA2G1BARMAPTALDH1A1
SCHEMBL6889571 0.93 PLA2G2A (0.44) PLA2G2APLA2G1BKLKB1KLK1EGFR
SCHEMBL6898378 0.93 ACMSD (0.39) PLA2G2APLA2G1BKLKB1KLK1EGFR
SCHEMBL6897173 0.92 MAPT (0.44) MAPTGAAKDM4EF10LMNA
SCHEMBL6889569 0.92 MAPK8 (0.43) PLA2G2APLA2G1BARMAPTALDH1A1
SCHEMBL6893709 0.92 MAPT (0.47) PLA2G2APLA2G1BARMAPTALDH1A1

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