SCHEMBL10705013

SCHEMBL10705013

C=C(C)C(=O)N(Cc1ccccc1)CC1CO1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
OXTR P30559 5/20 0.42
AVPR1A P37288 5/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MGLL Q99685 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL10708516 0.86 MEN1 (0.42) MEN1KMT2ALMNAMGLL
SCHEMBL10704168 0.85 MEN1 (0.44) MEN1KMT2AMGLL
SCHEMBL334445 0.84 MEN1 (0.50) MEN1KMT2AOXTRAVPR1ALMNA
SCHEMBL1629312 0.82 LMNA (0.55) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL9906098 0.80 LMNA (0.53) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL508642 0.80 ALDH1A1 (0.52) ALDH1A1
SCHEMBL11160181 0.80 OXTR (0.53) MEN1KMT2AOXTRAVPR1A
SCHEMBL10705618 0.79 MEN1 (0.43) MEN1KMT2AOXTRAVPR1ALMNA
Methacrylic Acid SCHEMBL28642247 0.77 LTA4H (0.37) MEN1KMT2AOXTRAVPR1ALMNA
SCHEMBL11164284 0.77 MGLL (0.48) MEN1KMT2ALMNAMGLL

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-0094436-B1 N-GLYCIDYL-SUBSTITUTED AMIDE COMPOUNDS MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-30 EP disclosed
EP-0094436-A1 N-GLYCIDYL-SUBSTITUTED AMIDE COMPOUNDS MITSUI TOATSU CHEMICALS, Inc. (JP) 1983-11-23 EP disclosed