SCHEMBL9616895

SCHEMBL9616895

CC(=O)OC(C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
TSHR P16473 2/20 0.36
MMP12 P39900 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
HRH1 P35367 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8127304 1.00 TDP1 (0.52) TDP1ALOX15SMN1; SMN2LMNAMMP1
SCHEMBL17402240 0.81 TDP1 (0.45) TDP1ALOX15SMN1; SMN2LMNAMMP1
SCHEMBL6433800 0.78 TDP1 (0.56) TDP1ALOX15SMN1; SMN2LMNAMMP1
SCHEMBL21456762 0.78 TDP1 (0.50) TDP1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL255602 0.77 TSHR (0.50) TDP1ALOX15SMN1; SMN2LMNAMMP1
SCHEMBL1442538 0.77 TSHR (0.50) TDP1ALOX15SMN1; SMN2LMNAMMP1
SCHEMBL7092944 0.77 TSHR (0.50) TDP1ALOX15SMN1; SMN2LMNAMMP1
SCHEMBL13849512 0.77 TSHR (0.50) TDP1ALOX15SMN1; SMN2LMNAMMP1
SCHEMBL42203 0.77 TSHR (0.50) TDP1ALOX15SMN1; SMN2LMNAMMP1
SCHEMBL9995363 0.76 TDP1 (0.48) TDP1SMN1; SMN2LMNAMMP1MMP2

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
JP-4001117-A None JP disclosed
JP-H041117-A COATING COSMETIC AND METHOD FOR FORMING MULTIPLE MAKEUP FILM POLA CHEM IND INC 1992-01-06 JP disclosed