SCHEMBL1840972

SCHEMBL1840972

CCCCOCCOC(=O)NCC1(C)CC(NC(=O)OCCOCCCC)CC(C)(C)C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 8/20 0.38
EPHX2 P34913 2/20 0.35
EPHX1 P07099 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL19975633 0.94 TSHR (0.66) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL14012885 0.93 TSHR (0.57) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL18092118 0.93 TSHR (0.56) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL1022208 0.93 TSHR (0.67) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL24088633 0.92 TSHR (0.55) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL20066976 0.91 TSHR (0.64) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL15362613 0.90 TSHR (0.60) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL983174 0.89 TSHR (0.66) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL47727 0.88 TSHR (0.62) TSHRGAAMAPK1HTTSMN1; SMN2
SCHEMBL18121940 0.88 TSHR (0.76) TSHRGAAMAPK1HTTSMN1; SMN2

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
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed