SCHEMBL19844232

SCHEMBL19844232

C=C(C)C(=O)OCCC1CCC(C2CCC(C3CCC(CCOC(=O)C(=C)C)CC3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR4 O00206 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
EPHX1 P07099 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
SCHEMBL19844221 1.00 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2782247 0.94 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9979756 0.91 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3477916 0.90 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19844235 0.90 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10073435 0.90 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19789498 0.90 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1973419 0.88 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL23494221 0.87 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16874410 0.86 THRB (0.46) THRBTSHRALDH1A1EPHX1

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-20180037817-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2018-02-08 US disclosed