SCHEMBL12428576

SCHEMBL12428576

CCOC(=O)C(CCc1ccccc1)(CC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.44
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK1 P28482 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
RARB P10826 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
SCHEMBL1747963 0.96 AR (0.45) ARMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5006829 0.84 NPC1 (0.42) ARMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5003331 0.78 POLB (0.39) ARMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1748072 0.77 AR (0.45) ARMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL18065664 0.73 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2TAAR1POLB
SCHEMBL6650516 0.73 GSK3B (0.44) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL12430069 0.73 NPSR1 (0.45) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7613025 0.72 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2TAAR1
SCHEMBL7139929 0.72 ALDH1A1 (0.49) ARALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL7614875 0.71 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2TAAR1MEN1

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
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