SCHEMBL9407909

SCHEMBL9407909

COc1ccc(N(C(CCC(=O)OCc2ccccc2)Cc2ccccc2)S(=O)(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
MMP1 P03956 6/20 0.40
MMP13 P45452 2/20 0.40
MMP9 P14780 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CDC25B P30305 1/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL8524050 0.74 ALOX5 (0.47) KEAP1NFE2L2LMNAMAPTALDH1A1
SCHEMBL874582 0.71 LMNA (0.48) CA1CA2ACHEKEAP1NFE2L2
SCHEMBL874581 0.71 LMNA (0.48) CA1CA2ACHEKEAP1NFE2L2
SCHEMBL26023562 0.70 MAPT (0.68) LMNAMAPTALDH1A1RAB9AATM
SCHEMBL305162 0.70 MAPT (0.68) LMNAMAPTALDH1A1RAB9AATM
SCHEMBL19007858 0.69 ALDH1A1 (0.53) PPARALMNAALDH1A1CDC25B
SCHEMBL31329294 0.68 ALDH1A1 (0.61) MAPTALDH1A1RAB9A
SCHEMBL18560549 0.68 CYP1A2 (0.51) PPARALMNAALDH1A1
SCHEMBL3732372 0.68 ALDH1A1 (0.59) MMP1MMP9LMNAMAPTALDH1A1
SCHEMBL13645009 0.68 KEAP1 (0.50) CA1CA2PPARGKEAP1NFE2L2

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
EP-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed