SCHEMBL8417889

SCHEMBL8417889

NC(=O)CCCCCCCCCCCCCCCCBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
SOAT1 P35610 2/20 0.43
MEN1 O00255 2/20 0.43
FAAH O00519 2/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 3/20 0.39
LMNA P02545 5/20 0.38
PMP22 Q01453 3/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 1/20 0.38
ALOX15 P16050 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 2/20 0.36
PLG P00747 1/20 0.36
THRB P10828 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL6137518 1.00 KMT2A (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL2591054 1.00 KMT2A (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL8418243 1.00 KMT2A (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL8417908 1.00 KMT2A (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL1429079 1.00 KMT2A (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL8417942 1.00 KMT2A (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL8416746 1.00 KMT2A (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL8417881 1.00 KMT2A (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL5573307 1.00 KMT2A (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL8419949 1.00 KMT2A (0.43) KMT2ASOAT1MEN1FAAHTP53

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-0781801-B1 Silica-filled rubber compositions containing dialkyleneamide polysulfides GOODYEAR TIRE & RUBBER (US) 1999-09-15 EP disclosed
EP-0781801-A1 Silica-filled rubber compositions containing dialkyleneamide polysulfides THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-07-02 EP disclosed
US-5641820-A SULFUR VULCANIZABLE ELASTOMERS WITH COUPLING AGENTS, FOR TIRE TREADS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-06-24 US disclosed