SCHEMBL8908305

SCHEMBL8908305

Cc1cc(C(=O)O)cc(-c2cc(C(=O)O)cc(CBr)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CG P48736 3/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CTRC Q99895 2/20 0.35
HTT P42858 1/20 0.35
VCP P55072 3/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
HCAR1 Q9BXC0 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 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
SCHEMBL8908899 0.84 TPMT (0.50) TPMTALOX15TSHRHIF1ASMN1; SMN2
SCHEMBL8909201 0.83 KDM4E (0.42) TSHRSMN1; SMN2RAB9AALDH1A1MAPK1
SCHEMBL16369792 0.80 TSHR (0.48) TPMTALOX15TSHRHIF1ASMN1; SMN2
SCHEMBL9640394 0.80 ACACB (0.38)
SCHEMBL1425333 0.75 KDM4E (0.46) TPMTALOX15TSHRHIF1ASMN1; SMN2
SCHEMBL1179149 0.74 TPMT (0.56) TPMTALOX15TSHRHIF1ASMN1; SMN2
SCHEMBL1425060 0.74 TPMT (0.48) TPMTPIK3CAALOX15TSHRHIF1A
SCHEMBL1424932 0.74 TPMT (0.43) TPMTALOX15TSHRHIF1ASMN1; SMN2
SCHEMBL9069963 0.73 KDM4E (0.49) ALOX15TSHRHTTALDH1A1KDM5C
Hydrochloric Acid SCHEMBL1425383 0.73 KDM4E (0.45) TPMTALOX15TSHRHIF1ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601113-B1 RARE EARTH MACROCYCLIC COMPLEXES AND USE THEREOF FOR REDUCTION OF DISTURBANCES IN AN ASSAY USING FLUORESCENCE CIS BIO INT (FR) 1997-01-08 EP disclosed
WO-1993005049-A1 RARE EARTH MACROCYCLIC COMPLEXES AND USE THEREOF FOR REDUCTION OF DISTURBANCES IN AN ASSAY USING FLUORESCENCE CIS BIO INTERNATIONAL (FR) 1993-03-18 WO disclosed