SCHEMBL7590758

SCHEMBL7590758

CC(=O)SCC(CC(=O)NCC(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
MME P08473 4/20 0.44
ATM Q13315 1/20 0.43
ACE P12821 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCC3 O15438 1/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
NR3C1 P04150 1/20 0.42
RARG P13631 1/20 0.42
CNR1 P21554 1/20 0.42
OPRK1 P41145 1/20 0.42
NR1H2 P55055 1/20 0.42
PPARA Q07869 1/20 0.42
NR1H3 Q13133 1/20 0.42
NR1I3 Q14994 1/20 0.42

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
SCHEMBL8516792 0.84 GABBR2 (0.56) MAPTMMEACECYP3A4POLB
SCHEMBL10588247 0.78 ACE (0.44) MAPTMMEATMACECYP1A2
SCHEMBL7596100 0.78 MME (0.56) MAPTMMEATMACEHPGD
SCHEMBL7471270 0.77 MME (0.67) MMEACECYP1A2CYP3A4CYP2D6
SCHEMBL10662935 0.75 HPGD (0.58) MMECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11018143 0.74 ASAH1 (0.51) MMEACEHPGDMEN1KMT2A
SCHEMBL3916076 0.72 CYP1A2 (0.73) MAPTMMEACECYP1A2CYP3A4
SCHEMBL7311547 0.72 CYP1A2 (0.73) MAPTMMEACECYP1A2CYP3A4
SCHEMBL7309885 0.72 CYP1A2 (0.73) MAPTMMEACECYP1A2CYP3A4
SCHEMBL27909267 0.72 ACE (0.44) MMEACECYP1A2CYP3A4CYP2D6

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
US-20020028248-A1 RAPID-RELEASE MICRODISPERSIBLE ECADOTRIL PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 2002-03-07 US disclosed
EP-0914822-A1 RAPID-RELEASE MICRODISPERSIBLE ECADOTRIL PREPARATION Bayer Aktiengesellschaft (DE) 1999-05-12 EP disclosed