SCHEMBL2308129

SCHEMBL2308129

CCC(CCOC)(CC(=O)c1ccc(-c2ccc(N)cc2)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
MAOA P21397 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4D Q08499 1/20 0.36
LTB4R Q15722 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CYP2D6 P10635 2/20 0.34
HTR3A P46098 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL5005989 0.87 SMN1; SMN2 (0.42) MAPTSMN1; SMN2L3MBTL1LMNACYP1A2
SCHEMBL2395037 0.83 GSK3B (0.39) MAPTSMN1; SMN2L3MBTL1LMNACYP1A2
SCHEMBL5007313 0.81 SMN1; SMN2 (0.42) MAPTSMN1; SMN2L3MBTL1MAOAALDH1A1
SCHEMBL1748034 0.73 SMN1; SMN2 (0.44) MAPTSMN1; SMN2L3MBTL1LMNACYP1A2
SCHEMBL13355120 0.71 ARG1 (0.36) CYP1A2ALDH1A1
SCHEMBL5006820 0.70 MAPK1 (0.46) MAPTALDH1A1MAPK1KDM4EGAA
SCHEMBL595610 0.70 GAA (0.43) MAPTSMN1; SMN2L3MBTL1LMNACYP1A2
SCHEMBL5006828 0.69 RARB (0.41) SMN1; SMN2PDE4DNPC1RAB9AHIF1A
SCHEMBL5006811 0.69 GSK3B (0.43) MAPTSMN1; SMN2L3MBTL1LMNACYP3A4
SCHEMBL20159133 0.68 LMNA (0.43) MAPTLMNACYP1A2CYP3A4MAOA

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-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
US-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed