SCHEMBL9397367

SCHEMBL9397367

CN1C(C)(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)N(C)C(C)(C)C3)CC(C(=O)OC3CC(C)(C)N(C)C(C)(C)C3)C2)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL21163395 0.93 GAA (0.42) TSHRKMT2ACYP2D6GAAHTT
SCHEMBL21162891 0.93 TSHR (0.33) TSHRKMT2ACYP2D6GAAHTT
SCHEMBL21163573 0.85 GAA (0.46) TSHRKMT2ACYP2D6GAAHTT
SCHEMBL21163069 0.85 TSHR (0.31) TSHRKMT2ACYP2D6GAAHTT
SCHEMBL21163060 0.85 GAA (0.40) GAA
SCHEMBL21162850 0.85 GAA (0.40) GAA
SCHEMBL21163250 0.85 GAA (0.40) GAA
SCHEMBL21162852 0.85 GAA (0.40) GAA
SCHEMBL19976794 0.83 HTT (0.42) TSHRKMT2ACYP2D6GAAHTT
SCHEMBL7756837 0.81 TSHR (0.36) TSHRKMT2ACYP2D6GAAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6145434-A None JP disclosed
JP-H06145434-A STABILIZED POLYOLEFIN COMPOSITION MITSUBISHI PETROCHEM CO LTD 1994-05-24 JP disclosed