SCHEMBL6897303

SCHEMBL6897303

CCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3cccc(-c4ccccc4)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.42
PLA2G1B P04054 1/20 0.42
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
EGFR P00533 1/20 0.39
NR4A2 P43354 1/20 0.39
AR P10275 1/20 0.39
BCL2 P10415 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
TSHR P16473 1/20 0.37
MAPK8 P45983 1/20 0.37
FAAH O00519 1/20 0.37
THRB P10828 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL6896588 0.93 PLA2G2A (0.44) PLA2G2APLA2G1BKLKB1KLK1EGFR
SCHEMBL6894814 0.93 MAPT (0.44) PLA2G2AMAPTALDH1A1GAAPKM
SCHEMBL6889205 0.91 MAPK8 (0.41) PLA2G2APLA2G1BKLKB1KLK1EGFR
SCHEMBL6897627 0.91 PLA2G2A (0.46) PLA2G2APLA2G1BKLKB1KLK1EGFR
SCHEMBL6889571 0.90 PLA2G2A (0.44) PLA2G2APLA2G1BKLKB1KLK1EGFR
SCHEMBL6897434 0.90 MAPT (0.39) PLA2G2AMAPTALDH1A1GAAPKM
SCHEMBL6896777 0.89 FAAH (0.44) MAPTALDH1A1GAAPKMFAAH
SCHEMBL6773912 0.89 PLA2G2A (0.45) PLA2G2APLA2G1BKLKB1KLK1BCL2
SCHEMBL6694644 0.89 AR (0.45) PLA2G2AEGFRARMAPTALDH1A1
SCHEMBL6889689 0.88 MAPT (0.47) MAPTALDH1A1GAAPKMTHRB

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