SCHEMBL6919085

SCHEMBL6919085

C=CC1(c2ccccc2)OCCOO1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL28570949 0.71 TSHR (0.37) TSHRMAPK1SMN1; SMN2L3MBTL1CHRM2
SCHEMBL8218672 0.68 MAOB (0.36) TSHRMAPK1SMN1; SMN2L3MBTL1CHRM2
SCHEMBL4952380 0.65 LMNA (0.35) TSHRMAPK1SMN1; SMN2
SCHEMBL7772327 0.65 LMNA (0.37) TSHR
SCHEMBL20115647 0.64 L3MBTL1 (0.41) TSHRMAPK1SMN1; SMN2L3MBTL1
SCHEMBL9474097 0.64 HTR1A (0.37)
SCHEMBL28411325 0.64 MAPK1 (0.36) TSHRMAPK1SMN1; SMN2L3MBTL1CHRM2
SCHEMBL11515608 0.63 CYP1A2 (0.36) TSHRMAPK1SMN1; SMN2L3MBTL1CHRM2
SCHEMBL19417838 0.63 CYP1A2 (0.36) TSHRMAPK1SMN1; SMN2L3MBTL1CHRM2
SCHEMBL1256099 0.62 CHEK2 (0.39) TSHRMAPK1SMN1; SMN2L3MBTL1CHRM2

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
US-6737438-B2 EFFECTIVE IN MULTIDRUG RESISTANT MICE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-05-18 US disclosed