SCHEMBL5337013

SCHEMBL5337013

COc1ccc([CH]OC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ FABP5 Q01469 3/20 0.45
▸ GAA P10253 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ FABP7 O15540 2/20 0.41
▸ MDM2 Q00987 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ CASP3 P42574 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL6444587 0.78 KMT2A (0.49) FABP5EPHX2KMT2AFABP7CASP3
SCHEMBL9225108 0.78 GAA (0.49) ALDH1A1LMNAFABP5GAAEPHX2
SCHEMBL5796019 0.77 KMT2A (0.50) FABP5EPHX2KMT2AFABP7CASP3
SCHEMBL29697690 0.77 KMT2A (0.50) FABP5EPHX2KMT2AFABP7CASP3
SCHEMBL9225114 0.77 FABP5 (0.44) ALDH1A1LMNAFABP5GAAEPHX2
SCHEMBL15119354 0.76 KMT2A (0.60) FABP5EPHX2KMT2AFABP7CASP3
SCHEMBL44676 0.76 KMT2A (0.58) FABP5EPHX2KMT2AFABP7CASP3
SCHEMBL10937196 0.74 FABP5 (0.46) ALDH1A1FABP5GAAEPHX2KMT2A
SCHEMBL15058849 0.73 KMT2A (0.55) FABP5EPHX2KMT2AFABP7CASP3
SCHEMBL25449134 0.72 FABP5 (0.45) ALDH1A1FABP5GAAEPHX2KMT2A

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
WO-2007064762-A2 CONJUGATES OF AMINO ACIDS AND VITAMIN B3 FOR PERCUTANEOUS DELIVERY OF VITAMIN B3 THE PROCTER & GAMBLE COMPANY (US) 2007-06-07 — — WO disclosed
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