SCHEMBL10908373

SCHEMBL10908373

Cc1cc(C(=O)Nc2cc(O)cc3cc(S(=O)(=O)O)ccc23)ccc1NC(=O)C(=O)Nc1ccc(C(=O)Nc2cc(O)cc3cc(S(=O)(=O)O)ccc23)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 2/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PRMT1 Q99873 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ TIMP3 P35625 2/20 0.39
▸ DHODH Q02127 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
SCHEMBL11354729 0.94 PRMT1 (0.44) CASP6CTDSP1L3MBTL1TAS1R3TAS1R1
SCHEMBL10905168 0.91 MEN1 (0.46) CASP6CTDSP1L3MBTL1TAS1R3TAS1R1
SCHEMBL11435673 0.87 CASP6 (0.48) CASP6CTDSP1L3MBTL1APEX1MEN1
SCHEMBL10907696 0.86 CASP6 (0.44) CASP6CTDSP1L3MBTL1TAS1R3TAS1R1
SCHEMBL10907966 0.85 CASP6 (0.56) CASP6CTDSP1L3MBTL1TAS1R3TAS1R1
SCHEMBL11426327 0.85 CASP6 (0.48) CASP6CTDSP1APEX1MEN1MAPT
SCHEMBL11354660 0.85 MEN1 (0.46) CASP6CTDSP1L3MBTL1TAS1R3TAS1R1
SCHEMBL11423148 0.84 POLB (0.51) L3MBTL1MEN1MAPTRAB9AKMT2A
SCHEMBL10907672 0.83 CASP6 (0.65) CASP6CTDSP1APEX1MEN1MAPT
SCHEMBL10909117 0.83 MEN1 (0.46) CASP6CTDSP1L3MBTL1TAS1R3TAS1R1

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-4599204-A Oxalylamides useful as dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-08 — — US disclosed
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