SCHEMBL8975865

SCHEMBL8975865

C=C(C)C(=O)OCCOP(=O)(CC)CC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.41
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 0.32
CA2 P00918 1/20 0.32
BTN3A1 O00481 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
SCHEMBL258609 0.86 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18215524 0.84 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL41530 0.82 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL258615 0.82 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL29614442 0.81 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15194 0.81 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18212633 0.81 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL41531 0.81 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL31091982 0.81 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8975539 0.81 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1

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-5523367-A DISPOSABLE PRODUCTS PHILLIPS PETROLEUM COMPANY (US) 1996-06-04 US disclosed