SCHEMBL8886451

SCHEMBL8886451

CCOC(=O)CCCOc1c(OC)cc(C=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
TNF P01375 6/20 0.48
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PTPN1 P18031 1/20 0.43
FDPS P14324 2/20 0.43
GAA P10253 1/20 0.43
TNFRSF1A P19438 1/20 0.42
HDAC3 O15379 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42

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
SCHEMBL4302353 0.95 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C19TNFMAPK1
SCHEMBL20475472 0.84 SRC (0.44) ALDH1A1CYP1A2TNFPDE4D
SCHEMBL17538707 0.84 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C19MAPK1KDM4E
SCHEMBL17821696 0.84 FDPS (0.58) ALDH1A1CYP1A2CYP2C19PDE4APDE4B
SCHEMBL7367306 0.84 FDPS (0.67) ALDH1A1CYP1A2CYP2C19FDPS
SCHEMBL17767352 0.82 BRD4 (0.41) ALDH1A1CYP1A2CYP2C19TNFPDE4D
SCHEMBL7462928 0.81 FDPS (0.51) ALDH1A1MAPK1MEN1KMT2AFDPS
SCHEMBL8615157 0.80 FDPS (0.54) ALDH1A1CYP1A2CYP2C19MAPK1KDM4E
SCHEMBL6739941 0.80 FDPS (0.54) ALDH1A1CYP1A2CYP2C19MAPK1KDM4E
SCHEMBL7163428 0.80 SRC (0.43) ALDH1A1CYP1A2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639782-A ANTIINFLAMMATORY AGENT; ANTIALLERGENS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-06-17 US disclosed
EP-0574510-A4 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS INNOVATIVE TECH CENTER (US) 1994-07-06 EP disclosed
EP-0574510-A1 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-12-22 EP disclosed
WO-1992015294-A1 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1992-09-17 WO disclosed