SCHEMBL6471909

SCHEMBL6471909

Cc1cc(C(=O)CC(C)(C)C)c(O)c(C(=O)CC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NR2F2 P24468 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSPA5 P11021 1/20 0.37

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
SCHEMBL30496176 0.78 NR2F2 (0.41) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL13280777 0.78 AKR1C4 (0.37) ALDH1A1POLBMEN1KMT2A
SCHEMBL4751041 0.77 MEN1 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL28488463 0.75 HSD17B10 (0.57) ALDH1A1NR2F2MEN1HPGDKMT2A
SCHEMBL12933288 0.75 HSD11B1 (0.50) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL4946050 0.73 MEN1 (0.54) ALDH1A1MEN1KMT2A
SCHEMBL30506530 0.73 MEN1 (0.54) ALDH1A1MEN1KMT2A
SCHEMBL11559830 0.72 HMGB1 (0.46) ALDH1A1NR2F2MEN1HPGDKMT2A
SCHEMBL22877704 0.72 MEN1 (0.41) POLBMEN1HPGDKMT2A
SCHEMBL25243117 0.71 — —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6065458-A — — None — — JP disclosed
EP-1575575-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-21 — — EP disclosed
WO-2004041256-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-05-21 — — WO disclosed
JP-H0665458-A CHLORINE-CONTAINING RESIN COMPOSITION NIPPON OIL & FATS CO LTD 1994-03-08 — — JP disclosed
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