SCHEMBL7329538

SCHEMBL7329538

CCOC(=O)C(Oc1ccc(OC)cc1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
KMT2A Q03164 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
GLA P06280 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL16934944 0.91 ALDH1A1 (0.50) TAS1R3TAS1R1TAS1R2PPARGPPARA
SCHEMBL11495749 0.85 KMT2A (0.47) TAS1R3TAS1R1TAS1R2PPARGPPARA
SCHEMBL7324340 0.84 ALDH1A1 (0.61) MTNR1AMTNR1BALDH1A1LMNAHPGD
SCHEMBL3512767 0.84 LDHA (0.59) PPARGPPARAKMT2AALDH1A1LMNA
SCHEMBL15140360 0.84 PPARG (0.47) PPARGPPARAKMT2AALDH1A1LMNA
SCHEMBL5112826 0.84 LMNA (0.61) TAS1R3TAS1R1TAS1R2KMT2AHDAC3
SCHEMBL5711753 0.84 PPARA (0.53) PPARGPPARAKMT2ATSHRSMN1; SMN2
SCHEMBL5711752 0.83 TDP1 (0.54) PPARGPPARAKMT2AMTNR1AMTNR1B
SCHEMBL6712994 0.82 RAB9A (0.48) KMT2ALMNAHPGDMEN1L3MBTL1
SCHEMBL11662042 0.82 PPARG (0.51) PPARGPPARAKMT2AALDH1A1LMNA

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-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed