SCHEMBL8908899

SCHEMBL8908899

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.50
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
CTRC Q99895 2/20 0.44
HCAR1 Q9BXC0 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL1179149 0.88 TPMT (0.56) TPMTALOX15TSHRHIF1ASMN1; SMN2
Hydrochloric Acid SCHEMBL11078337 0.86 TPMT (0.54) TPMTALOX15TSHRHIF1ASMN1; SMN2
Hydrochloric Acid SCHEMBL1179035 0.86 TPMT (0.54) TPMTALOX15TSHRHIF1ASMN1; SMN2
SCHEMBL20346112 0.85 CTRC (0.61) SMN1; SMN2ALDH1A1CTRCHPGDKDM4E
SCHEMBL8908305 0.84 TPMT (0.37) TPMTALOX15TSHRHIF1ASMN1; SMN2
SCHEMBL16706636 0.83 CTRC (0.66) SMN1; SMN2ALDH1A1CTRCTDP1HPGD
SCHEMBL21096025 0.83 CYP3A4 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1TDP1
SCHEMBL2085141 0.80 TPMT (0.48) TPMTALOX15TSHRHIF1ASMN1; SMN2
SCHEMBL3686639 0.80 ALOX15 (0.71) TPMTALOX15TSHRHIF1ASMN1; SMN2
SCHEMBL501900 0.78 SMN1; SMN2 (0.55) 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