SCHEMBL8356396

SCHEMBL8356396

CCN(CC)C(=O)CCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL8356482 1.00 TDP1 (0.59) TDP1MAOAMAOBCA12CA1
SCHEMBL5768805 0.87 ALDH1A1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL8354592 0.87 TDP1 (0.55) TDP1MAOAMAOBCA12CA1
SCHEMBL25196839 0.86 TDP1 (0.54) TDP1MAOAMAOBCA12CA1
SCHEMBL19009427 0.85 TDP1 (0.65) TDP1MAOAMAOBCA12CA1
SCHEMBL6289449 0.85 TDP1 (0.56) TDP1MAOAMAOBCA12CA1
SCHEMBL8358630 0.85 TDP1 (0.52) TDP1MAOAMAOBCA12CA1
SCHEMBL8356253 0.84 TDP1 (0.63) TDP1MAOAMAOBCA12CA1
SCHEMBL18865536 0.84 TDP1 (0.55) TDP1MAOAMAOBCA12CA1
SCHEMBL7375702 0.84 TDP1 (0.55) TDP1MAOAMAOBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877202-A Indole derivatives useful to treat estrogen-related neoplasms and disorders AVENTISUB II INC. 1999-03-02 US disclosed
EP-0746544-B1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMA INC (US) 1998-09-09 EP disclosed
EP-0746544-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1996-12-11 EP disclosed
WO-1995022524-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1995-08-24 WO disclosed