SCHEMBL7968117

SCHEMBL7968117

O=C(O)C(=COC=Cc1ccccc1)C(CC1CO1)CC1CO1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.40
BCHE P06276 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32
PAM P19021 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
Acrylonitrile SCHEMBL2543619 0.68 MGLL (0.34) MGLL
SCHEMBL7973242 0.68 MGLL (0.42) MGLLBCHEHAO1PAMMAPT
SCHEMBL2960847 0.68 MGLL (0.40) MGLLBCHEHAO1PAMMAPT
SCHEMBL27898508 0.66 MGLL (0.40) MGLLPAMTDP1
SCHEMBL1456930 0.66 TDP1 (0.50) MGLLSMN1; SMN2TDP1
SCHEMBL1456929 0.66 TDP1 (0.50) MGLLSMN1; SMN2TDP1
SCHEMBL28192940 0.65 MGLL (0.42) MGLLBCHEPAMMAPTSMN1; SMN2
SCHEMBL11880654 0.64 CYP1A2 (0.61)
SCHEMBL1132637 0.63 MGLL (0.84) MGLLBCHEAKR1B10AKR1B1RAB9A
SCHEMBL11160492 0.63 NPC1 (0.58) MGLLBCHEHAO1NPC1MAPT

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
US-6180691-B1 MIXING AN INK VEHICLE, A COLORANT AND A LATEX CONTAINING A POLYMER WITH EPOXY GROUPS, WHICH IS GENERATED BY POLYMERIZING A MIXTURE OF OLEFINIC MONOMERS AND AN UNSATURATED MONOMER CONTAINING EPOXIDE IN PRESENCE OF ANIONIC/NONIONIC XEROX CORPORATION 2001-01-30 US claimed
US-6180691-B1 MIXING AN INK VEHICLE, A COLORANT AND A LATEX CONTAINING A POLYMER WITH EPOXY GROUPS, WHICH IS GENERATED BY POLYMERIZING A MIXTURE OF OLEFINIC MONOMERS AND AN UNSATURATED MONOMER CONTAINING EPOXIDE IN PRESENCE OF ANIONIC/NONIONIC XEROX CORPORATION 2001-01-30 US disclosed