SCHEMBL8994775

SCHEMBL8994775

O=C1OC(=O)O[C@@H]2CCCCC[C@@H]2O1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
PPM1B O75688 1/20 0.32
LMNA P02545 1/20 0.32
PPP1CC P36873 1/20 0.32
TFPI2 P48307 1/20 0.32
RAB9A P51151 1/20 0.32
PPP5C P53041 1/20 0.32
PPP1CA P62136 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 6/20 0.31
TSHR P16473 1/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL3369402 0.97 KDM4E (0.33) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL3374288 0.97 KDM4E (0.33) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL300128 0.97 KDM4E (0.33) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL7595334 0.92 PRSS1 (0.34) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL8083570 0.89 KMT2A (0.33) KMT2AHSD11B1DAO
SCHEMBL11351258 0.89 KMT2A (0.33) KMT2AHSD11B1DAO
SCHEMBL16221696 0.89 KMT2A (0.33) KMT2AHSD11B1DAO
SCHEMBL3920971 0.87 ALDH1A1 (0.30)
SCHEMBL5177038 0.86 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL3919467 0.86 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC

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-0614457-B1 LEUKOTRIENE-B 4? DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS SCHERING AG (DE) 1996-08-21 EP disclosed
EP-0614457-A1 LEUKOTRIENE-B 4? DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS. SCHERING AG (DE) 1994-09-14 EP disclosed
WO-1993011105-A1 LEUKOTRIENE-B4 DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-10 WO disclosed