SCHEMBL5006829

SCHEMBL5006829

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.40
AR P10275 4/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
RARB P10826 1/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 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
SCHEMBL2395007 0.88 MAPT (0.48) NPC1RAB9ASMN1; SMN2TAAR1AR
SCHEMBL5006828 0.86 RARB (0.41) NPC1RAB9ASMN1; SMN2RARB
SCHEMBL12428576 0.84 AR (0.44) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL1747963 0.83 AR (0.45) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL5003331 0.77 POLB (0.39) SMN1; SMN2LMNAARPOLBMAPK1
SCHEMBL5006820 0.75 MAPK1 (0.46) POLBMAPK1MAPTALDH1A1KMT2A
SCHEMBL1748072 0.74 AR (0.45) NPC1RAB9ASMN1; SMN2TAAR1LMNA
SCHEMBL5007313 0.72 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5009259 0.72 POLB (0.42) NPC1RAB9ASMN1; SMN2POLBMAPK1
SCHEMBL1748173 0.71 GSK3B (0.58) SMN1; SMN2POLBMAPK1MAPTALDH1A1

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
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