SCHEMBL22215980

SCHEMBL22215980

C=C(C)C(=O)NC(C)(COC(=O)C(=C)C)COC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.39
TGFBR1 P36897 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
SCHEMBL19959141 0.87 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL15294450 0.82 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL16805856 0.81 ALDH1A1 (0.38) TSHRALDH1A1THRBTGFBR1
SCHEMBL14994268 0.81 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL17522073 0.81 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL4981584 0.80 TSHR (0.40) TSHRALDH1A1THRBTGFBR1
SCHEMBL7161941 0.79 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL22215989 0.79 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL22215991 0.79 THRB (0.41) TSHRALDH1A1THRB
SCHEMBL625056 0.78 TSHR (0.41) TSHRALDH1A1THRBTGFBR1

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
US-20200223966-A1 CURABLE COMPOSITION, FILM, CURED PRODUCT, AND MEDICAL MEMBER FUJIFILM CORPORATION (JP) 2020-07-16 US disclosed