SCHEMBL8679689

SCHEMBL8679689

C=C(C)C(=O)ON(CC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
ALDH1A1 P00352 8/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 4/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
GLO1 Q04760 1/20 0.34
ALOX15 P16050 1/20 0.32
SOAT1 P35610 1/20 0.32
MAPT P10636 2/20 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
SCHEMBL7160168 0.87 THRB (0.39) THRBALDH1A1KMT2ATSHR
SCHEMBL2955112 0.85 ALDH1A1 (0.37) THRBALDH1A1TSHR
SCHEMBL7156259 0.84 THRB (0.41) THRBALDH1A1KMT2ATSHR
SCHEMBL2946748 0.80 ALDH1A1 (0.39) THRBALDH1A1TSHR
SCHEMBL293594 0.80 ALDH1A1 (0.39) THRBALDH1A1TSHR
SCHEMBL2480449 0.80 ALDH1A1 (0.39) THRBALDH1A1TSHR
SCHEMBL17141170 0.80 TSHR (0.51) THRBALDH1A1KMT2ATSHRMAPT
SCHEMBL20451478 0.80 TSHR (0.65) THRBALDH1A1TSHRLMNA
SCHEMBL2232464 0.79 ALDH1A1 (0.50) ALDH1A1KMT2ATSHRLMNAHSD17B10
SCHEMBL9365022 0.78 TSHR (0.40) THRBTSHR

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
CN-114231078-A Metal oxide microparticle dispersion and curable composition containing same 山阳色素株式会社 2022-03-25 CN disclosed
CN-109082138-B Pigment dispersion and coloring composition containing the same 山阳色素株式会社 2020-09-18 CN disclosed
US-5840806-A COMPOSITION COMPRISING RESIN FORMED BY CONDENSATION OF POLYSILOXANE WITH POLYMER HAVING HYDROLYZABLE SILYL GROUP AND ADDITIONAL FUNCTIONAL GROUP, COMPOUND CAPABLE OF REACTING WITH SAID GROUP DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-11-24 US disclosed