SCHEMBL565179

SCHEMBL565179

C=CC(=O)OC(CCCC)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
HPGD P15428 1/20 0.43
METAP1 P53582 1/20 0.36
THRB P10828 3/20 0.35
CTSK P43235 4/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
THRA P10827 1/20 0.32
LMNA P02545 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
ATM Q13315 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
SCHEMBL28298605 0.94 TSHR (0.44) TSHRHPGDMETAP1THRBCTSK
SCHEMBL13435134 0.88 TSHR (0.38) TSHRHPGDCTSKCTSLCTSB
SCHEMBL1355183 0.82 TSHR (0.35) TSHRHPGDTHRB
SCHEMBL8151346 0.81 TSHR (0.44) TSHRHPGDMETAP1THRBCTSK
SCHEMBL27349784 0.81 TSHR (0.41) TSHRHPGDMETAP1THRBCTSK
SCHEMBL14218962 0.80 THRB (0.41) TSHRTHRBTHRALMNAALDH1A1
SCHEMBL13296349 0.80 IDO1 (0.37) TSHRHPGDTHRBLMNAALDH1A1
SCHEMBL13348377 0.79 TSHR (0.36) TSHRHPGDLMNAALDH1A1CYP3A4
SCHEMBL9578994 0.79 TSHR (0.54) TSHRHPGDTHRBCTSKTHRA
SCHEMBL13348380 0.79 TSHR (0.34) TSHRHPGD

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-20120035323-A1 POLYOLEFIN/POLYLACTIC ACID BLENDS ARKEMA INC. (US) 2012-02-09 US claimed