SCHEMBL6664042

SCHEMBL6664042

C=C(C)C(=O)OCCN(C)C.CCCCC=C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
DNM1 Q05193 1/20 0.41
THRB P10828 1/20 0.39
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAOA P21397 1/20 0.34
CNR1 P21554 1/20 0.34
DRD4 P21917 1/20 0.34
ACHE P22303 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MAPK1 P28482 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
SCHEMBL4165361 1.00 TSHR (0.48) TSHRDNM1THRBCHRM2CHRM4
SCHEMBL3174735 0.96 TSHR (0.44) TSHRDNM1THRBCHRM2CHRM4
SCHEMBL4162825 0.90 TSHR (0.51) TSHRDNM1THRBKDM4EPOLB
SCHEMBL5038139 0.90 TSHR (0.51) TSHRDNM1THRBKDM4EPOLB
SCHEMBL29664602 0.89 THRB (0.39) TSHRDNM1THRBCHRM2CHRM4
Hydrochloric Acid SCHEMBL11323572 0.88 TSHR (0.50) TSHRDNM1THRBLMNAKDM4E
SCHEMBL27875169 0.88 TSHR (0.47) TSHRDNM1THRBCHRM2CHRM4
Methacrylic Acid SCHEMBL5015842 0.88 TSHR (0.50) TSHRDNM1THRBKDM4EPOLB
SCHEMBL28347532 0.88 TSHR (0.58) TSHRTHRBKDM4ERAB9APOLB
SCHEMBL3185598 0.86 TSHR (0.48) TSHRDNM1THRBPOLBAPEX1

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
WO-2004004682-A2 STABLE OILY SUSPENSION OF MICROGRANULES LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-01-15 WO disclosed