SCHEMBL6889571

SCHEMBL6889571

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.44
PLA2G1B P04054 2/20 0.44
KLK1 P06870 2/20 0.43
KLKB1 P03952 1/20 0.43
AR P10275 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
MAPK8 P45983 1/20 0.40
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NR4A2 P43354 1/20 0.39
F10 P00742 2/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38
PLA2G2E Q9NZK7 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
SCHEMBL6896588 0.93 PLA2G2A (0.44) PLA2G2APLA2G1BKLK1KLKB1AR
SCHEMBL6689196 0.93 GAA (0.47) PLA2G2APLA2G1BARMAPTALDH1A1
SCHEMBL6897627 0.91 PLA2G2A (0.46) PLA2G2APLA2G1BKLK1KLKB1AR
SCHEMBL6897303 0.90 PLA2G2A (0.42) PLA2G2APLA2G1BKLK1KLKB1AR
SCHEMBL6894729 0.90 MAPT (0.41) PLA2G2AMAPTALDH1A1GAAPKM
SCHEMBL6885056 0.90 MAPT (0.46) PLA2G2APLA2G1BARMAPTALDH1A1
SCHEMBL6691521 0.90 MAPT (0.49) MAPTALDH1A1GAAPKMTHRB
SCHEMBL6694644 0.89 AR (0.45) PLA2G2AARMAPTALDH1A1GAA
SCHEMBL6896220 0.88 FAAH (0.43) MAPTALDH1A1GAAPKMTHRB
SCHEMBL6776997 0.88 PLA2G2A (0.48) PLA2G2APLA2G1BKLK1KLKB1F10

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