SCHEMBL11702201

SCHEMBL11702201

C=C(C)C(=O)OCCCC1C2CCC(C2)C1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL11703552 0.91 THRB (0.41) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1355167 0.81 ALDH1A1 (0.49) TSHRTHRBALDH1A1
SCHEMBL10073435 0.78 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL19844235 0.78 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL19789498 0.78 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3477916 0.78 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11703566 0.77 TBXAS1 (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19906406 0.76 TSHR (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11703864 0.75 TSHR (0.44) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL14050216 0.74 TSHR (0.33) TSHR

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-4054232-A CROSSLINKED 2-ACETOACETOXYETHYL METHACRYLATE HOMOPOLYMER OR COPOLYMER EASTMAN KODAK COMPANY (US) 1977-10-18 US disclosed