SCHEMBL28062034

SCHEMBL28062034

C=C(C)C(=O)OCCCCCCCCCC(C[N+](C)(C)C)OP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.35
SMPD1 P17405 3/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PLA2G2A P14555 2/20 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
SCHEMBL541808 1.00 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL541106 1.00 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL541372 0.99 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL541861 0.95 TSHR (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL6852709 0.94 TSHR (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5673772 0.90 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1260811 0.90 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL176508 0.89 THRB (0.38) TSHRPOLBAPEX1HTTTDP1
SCHEMBL541396 0.89 TSHR (0.46) TSHRPOLBAPEX1HTTTDP1
SCHEMBL541480 0.89 TSHR (0.46) TSHRPOLBAPEX1HTTTDP1

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
CN-105611951-A Antioxidative prosthetic member KYOCERA MEDICAL CORP 2016-05-25 CN disclosed