Sugi Predict

Sugi Predict / Compounds / SCHEMBL6535396

SCHEMBL6535396

SCHEMBL6535396

NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc(C(F)(F)F)c1.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc2ccccc12.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1C(F)(F)F.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1Cc1ccccc1.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 15/20 0.45
▸ PLA2G1B P04054 8/20 0.45
▸ MCL1 Q07820 1/20 0.39
▸ BAD Q92934 1/20 0.39
▸ PLA2G10 O15496 3/20 0.37
▸ PLA2G5 P39877 3/20 0.37
▸ PLA2G2E Q9NZK7 2/20 0.37
▸ FABP4 P15090 2/20 0.36
▸ PLA2G6 O60733 1/20 0.36
▸ PLA2G2C Q5R387 1/20 0.36
▸ PLA2G12B Q9BX93 1/20 0.36
▸ PLA2G12A Q9BZM1 1/20 0.36
▸ PLA2G2F Q9BZM2 1/20 0.36
▸ PLA2G3 Q9NZ20 1/20 0.36
▸ PLA2G2D Q9UNK4 1/20 0.36
▸ PPARG P37231 1/20 0.35

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
SCHEMBL8069283 0.90 PLA2G2A (0.54) PLA2G2APLA2G1BMCL1BADPLA2G10
SCHEMBL7629411 0.86 PLA2G2A (0.46) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL819532 0.81 PLA2G2A (0.52) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL29862795 0.81 PLA2G2A (0.52) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL29862586 0.81 PLA2G2A (0.50) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL818408 0.81 PLA2G2A (0.50) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL818265 0.79 PLA2G2A (0.65) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL29862311 0.79 PLA2G2A (0.65) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL817656 0.79 PLA2G2A (0.67) PLA2G2APLA2G1BMCL1BADPLA2G10
SCHEMBL817716 0.78 PLA2G2A (0.52) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E

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
EP-1011670-A4 METHOD FOR TREATMENT OF NON-RHEUMATOID ATHRITIS LILLY CO ELI (US) 2004-10-27 — — EP claimed
EP-1011670-A1 METHOD FOR TREATMENT OF NON-RHEUMATOID ATHRITIS ELI LILLY AND COMPANY (US) 2000-06-28 — — EP claimed
WO-1999009978-A1 METHOD FOR TREATMENT OF NON-RHEUMATOID ATHRITIS ELI LILLY AND COMPANY (US) 1999-03-04 — — WO claimed