SCHEMBL5764673

SCHEMBL5764673

CCc1cc2c(OCC(=O)OC)nc(SC)nc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
HTT P42858 1/20 0.37
PPARG P37231 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ABHD6 Q9BV23 1/20 0.36
TP53 P04637 3/20 0.36
THRB P10828 1/20 0.36
PTGER3 P43115 1/20 0.36
MAPT P10636 3/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
SCD O00767 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
SCHEMBL5764178 0.89 MAPT (0.40) LMNAHTTTP53MAPTTSHR
SCHEMBL5764508 0.88 PPARG (0.40) PPARGMAPTTSHRPOLB
SCHEMBL5764801 0.85 AURKA (0.42) LMNAHTTPPARGSMN1; SMN2ABHD6
SCHEMBL5763363 0.84 ALOX5AP (0.42) HTTMAPTPOLB
SCHEMBL5763931 0.82 HSP90AA1 (0.40) PPARGSMN1; SMN2TP53PTGER3POLB
SCHEMBL5763509 0.80 PLA2G2A (0.44)
SCHEMBL5764441 0.79 ALDH1A1 (0.39) LMNAHTTSMN1; SMN2ABHD6TP53
SCHEMBL5764971 0.78 PLA2G1B (0.40) PPARGMAPTPOLB
SCHEMBL5762337 0.73 MAPT (0.41) LMNASMN1; SMN2TP53MAPTMAPK1
SCHEMBL5762150 0.72 PLA2G2A (0.49)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091738-B1 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2006-12-06 EP disclosed
US-6384041-B1 ANTIINFLAMMATORY AGENT, TREATMENT OF SHOCK AND ENZYME INHIBITORS ELI LILLY AND COMPANY 2002-05-07 US disclosed