SCHEMBL7957580

SCHEMBL7957580

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
HPGD P15428 1/20 0.47
HCAR2 Q8TDS4 4/20 0.45
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.36
MGLL Q99685 1/20 0.35
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
Styrene SCHEMBL11320481 0.90 MGLL (0.42) TSHRHPGDHCAR2ALDH1A1SMN1; SMN2
SCHEMBL7966454 0.88 SMN1; SMN2 (0.48) TSHRHPGDHCAR2ALDH1A1SMN1; SMN2
SCHEMBL7968471 0.88 ALDH1A1 (0.44) TSHRHPGDHCAR2ALDH1A1MGLL
SCHEMBL7968534 0.87 ALDH1A1 (0.58) TSHRHPGDHCAR2ALDH1A1SMN1; SMN2
SCHEMBL7971090 0.86 TSHR (0.44) TSHRHPGDHCAR2ALDH1A1SMN1; SMN2
SCHEMBL7970437 0.85 TSHR (0.46) TSHRHPGDHCAR2ALDH1A1SMN1; SMN2
SCHEMBL11421354 0.84 ALDH1A1 (0.60) TSHRHPGDALDH1A1SMN1; SMN2ATM
SCHEMBL7973640 0.84 ALDH1A1 (0.46) TSHRHCAR2ALDH1A1MGLLCYP3A4
SCHEMBL6230400 0.84 MGLL (0.52) TSHRHPGDALDH1A1MGLLTDP1
SCHEMBL222966 0.84 TSHR (0.67) TSHRHPGDHCAR2ALDH1A1SMN1; SMN2

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