SCHEMBL11675321

SCHEMBL11675321

C=C(C(=O)OCCN)C(CCC)CCC.C=C(C)C(=O)OCCCCCCCCCCN(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PMP22 Q01453 1/20 0.34
MAOB P27338 2/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 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
SCHEMBL499772 0.81 TSHR (0.66) TSHRPOLBAPEX1HTTTDP1
SCHEMBL109797 0.81 TSHR (0.66) TSHRPOLBAPEX1HTTTDP1
SCHEMBL499467 0.81 TSHR (0.66) TSHRPOLBAPEX1HTTTDP1
SCHEMBL499656 0.81 TSHR (0.66) TSHRPOLBAPEX1HTTTDP1
SCHEMBL500171 0.81 TSHR (0.66) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10951222 0.81 TSHR (0.66) TSHRPOLBAPEX1HTTTDP1
SCHEMBL110690 0.80 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL4596321 0.80 HDAC1 (0.38) TSHRTDP1CYP3A4THRBNPSR1
SCHEMBL7535904 0.79 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL4919357 0.77 CA2 (0.41) TSHRTDP1THRBCHRM1CHRM3

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-4020192-A AMINO ALKYL AMIDE ACRYLIC POLYMER FUJI XEROX CO., LTD. (JA) 1977-04-26 US disclosed