SCHEMBL7971090

SCHEMBL7971090

C=C(CC=CC(=O)O)C(=O)OCCCC.C=CC(=O)OCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
HPGD P15428 1/20 0.44
HCAR2 Q8TDS4 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
MGLL Q99685 1/20 0.33
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7958173 0.89 ALDH1A1 (0.42) TSHRHPGDHCAR2ALDH1A1MGLL
SCHEMBL7967703 0.89 SMN1; SMN2 (0.44) TSHRHPGDHCAR2ALDH1A1SMN1; SMN2
SCHEMBL7973651 0.88 ALDH1A1 (0.54) TSHRHCAR2ALDH1A1SMN1; SMN2ATM
SCHEMBL6129270 0.88 TSHR (0.39) TSHRHPGDHCAR2ALDH1A1SMN1; SMN2
Acrylic Acid Ethyl Ester SCHEMBL8342957 0.87 ALDH1A1 (0.45) TSHRHPGDHCAR2ALDH1A1MGLL
SCHEMBL7957580 0.86 TSHR (0.47) TSHRHPGDHCAR2ALDH1A1SMN1; SMN2
SCHEMBL7968913 0.85 ALDH1A1 (0.43) ALDH1A1MGLLCYP3A4
SCHEMBL7970236 0.85 TSHR (0.44) TSHRHPGDHCAR2ALDH1A1SMN1; SMN2
SCHEMBL5191873 0.85 ALDH1A1 (0.39) TSHRHPGDHCAR2ALDH1A1SMN1; SMN2
SCHEMBL6848771 0.82 TSHR (0.54) TSHRHPGDHCAR2ALDH1A1ATM

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