SCHEMBL8599851

SCHEMBL8599851

COC(=O)C1CCC(CNC(=N)N)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
GNRHR P30968 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
EPHX1 P07099 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34

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
SCHEMBL8599848 1.00 TDP1 (0.48) TDP1GNRHRTP53ALDH1A1CHRNB2
Hydrochloric Acid SCHEMBL30596145 0.98 TDP1 (0.47) TDP1GNRHRTP53ALDH1A1CHRNB2
SCHEMBL8597654 0.86 MEN1 (0.50) TDP1GNRHRALDH1A1GAAKMT2A
SCHEMBL8597658 0.86 MEN1 (0.50) TDP1GNRHRALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL8597897 0.84 MEN1 (0.49) TDP1GNRHRALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL8596879 0.84 MEN1 (0.49) TDP1GNRHRALDH1A1GAAKMT2A
SCHEMBL8596471 0.84 TDP1 (0.43) TDP1ALDH1A1EPHX1KMT2AMEN1
SCHEMBL8596475 0.84 TDP1 (0.43) TDP1ALDH1A1EPHX1KMT2AMEN1
SCHEMBL13135995 0.83 TDP1 (0.48) TDP1GNRHRTP53ALDH1A1CHRNB2
SCHEMBL8596732 0.83 TDP1 (0.42) TDP1GNRHRGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6080548-A None JP disclosed
EP-0585130-B1 External preparation for skin containing a depigmentation agent SHISEIDO CO LTD (JP) 1998-01-28 EP disclosed
JP-H0680548-A DERMAL MEDICINE FOR EXTERNAL USE SHISEIDO CO LTD 1994-03-22 JP disclosed