SCHEMBL11322308

SCHEMBL11322308

CC(=O)CC(=O)N(C(=O)CC(C)=O)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ALDH1A1 P00352 6/20 0.38
TSHR P16473 2/20 0.38
NT5E P21589 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 2/20 0.38
CA4 P22748 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
POLB P06746 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CASP6 P55212 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
SCHEMBL11247415 0.81 TSHR (0.41) LMNAALDH1A1TSHRCA1CA2
SCHEMBL10945355 0.77 TDP1 (0.41) LMNAALDH1A1TSHRCA1CA2
SCHEMBL11332144 0.76 ALDH1A1 (0.40) LMNAALDH1A1CA1CA2CA7
SCHEMBL9411919 0.76 MTNR1A (0.46) LMNAALDH1A1TSHRSMN1; SMN2POLB
SCHEMBL9402358 0.74 KMT2A (0.38) LMNAALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL9402363 0.74 KMT2A (0.38) LMNAALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL14071602 0.71 S1PR3 (0.40) ALDH1A1CA1CA2CA7CA4
SCHEMBL14071608 0.71 S1PR3 (0.40) ALDH1A1CA1CA2CA7CA4
SCHEMBL483015 0.71 HSD11B1 (0.48) LMNAALDH1A1TSHRNT5ESMN1; SMN2
Acetoacetic Acid SCHEMBL8378766 0.70 KEAP1 (0.49) LMNAALDH1A1TSHRCA1CA2

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-4254025-A Disazo and polyazo dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-03-03 US disclosed