SCHEMBL16115644

SCHEMBL16115644

COc1ccc(OCC(C)=O)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAOB P27338 1/20 0.48
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
PRNP P04156 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL10851561 0.86 RAB9A (0.57) ALDH1A1RAB9ANPC1MAOBHPGD
SCHEMBL7632516 0.84 KDM4E (0.50) ALDH1A1RAB9ANPC1MAOBHPGD
SCHEMBL13883595 0.83 RAB9A (0.49) ALDH1A1RAB9ANPC1MAOBHPGD
SCHEMBL16115976 0.83 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1HPGDCYP1A2
SCHEMBL7625691 0.80 LMNA (0.50) RAB9ANPC1MAOBHPGDCYP1A2
SCHEMBL12578373 0.78 SMN1; SMN2 (0.64) ALDH1A1RAB9ANPC1HPGDCYP1A2
SCHEMBL30665865 0.78 LMNA (0.55) ALDH1A1HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL26654446 0.78 LMNA (0.55) ALDH1A1HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL286726 0.77 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL13889404 0.76 MAOB (0.48) ALDH1A1RAB9ANPC1MAOBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978754-B1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-10 EP disclosed
EP-2978754-B1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-10 EP disclosed
EP-2978747-B1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-04-19 EP disclosed
EP-2978747-B1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-04-19 EP disclosed
EP-2978754-A1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-02-03 EP disclosed
EP-2978747-A1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-02-03 EP disclosed
WO-2014154726-A1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 WO disclosed
WO-2014154727-A1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 WO disclosed
WO-2014154727-A1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 WO disclosed
WO-2014154726-A1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 WO disclosed