SCHEMBL28117761

SCHEMBL28117761

C=C(C)C(=O)OC.O=C=NCCCCCCN=C=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TSHR P16473 3/20 0.37
THRB P10828 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL8849728 0.84 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL181712 0.83 TSHR (0.59) ALDH1A1TSHRTHRB
SCHEMBL2481162 0.83 TSHR (0.59) ALDH1A1TSHRTHRB
SCHEMBL11431200 0.83 ALDH1A1 (0.50) ALDH1A1TSHRTHRB
SCHEMBL2483259 0.83 TSHR (0.59) ALDH1A1TSHRTHRB
SCHEMBL17780845 0.83 TSHR (0.59) ALDH1A1TSHRTHRB
SCHEMBL5362558 0.83 TSHR (0.59) ALDH1A1TSHRTHRB
SCHEMBL1850039 0.83 TSHR (0.59) ALDH1A1TSHRTHRB
SCHEMBL2480778 0.83 TSHR (0.59) ALDH1A1TSHRTHRB
SCHEMBL1304140 0.83 TSHR (0.59) ALDH1A1TSHRTHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104119715-B Aqueous colorful-pattern coating material 河北晨阳工贸集团有限公司 2017-02-08 CN disclosed