SCHEMBL11265074

SCHEMBL11265074

CCCCN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1CCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.45
ADRB2 P07550 1/20 0.45
NPY2R P49146 1/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
ALOX5 P09917 1/20 0.41
S1PR1 P21453 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
POLB P06746 2/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6138432 0.85 NPY2R (0.54) HPGDGAAALDH1A1ADRB2NPY2R
SCHEMBL11261219 0.75 ALDH1A1 (0.37) HPGDGAAALDH1A1ADRB2NPY2R
SCHEMBL30957409 0.74 NPY2R (0.53) ALDH1A1NPY2RCYSLTR2CYSLTR1RAB9A
SCHEMBL11260170 0.74 ALDH1A1 (0.41) ALDH1A1NPY2RS1PR1POLB
SCHEMBL11257623 0.73 HDAC3 (0.45) ALDH1A1MAPTSMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL30957337 0.73 NPC1 (0.50) ALDH1A1NPY2RCYSLTR2CYSLTR1RAB9A
SCHEMBL30957315 0.73 NPC1 (0.50) ALDH1A1NPY2RCYSLTR2CYSLTR1RAB9A
SCHEMBL11329851 0.72 ADRA2C (0.46) ALDH1A1MAPTSMN1; SMN2L3MBTL1LTB4R2
SCHEMBL11255842 0.71 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2POLB
SCHEMBL11851073 0.71 ALDH1A1 (0.46) HPGDGAAALDH1A1ADRB2NPY2R

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-4322439-A ω-[2-(N-Lower alkyl-benzamido)-phenyl]-alkanoic acids, their use, and medicaments containing them BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-30 US disclosed
WO-1979000586-A1 W-(2-N-LOWER ALKYL-BENZAMIDO)-PHENYL)-ALKANOIC ACIDS,THEIR USE AND PREPARATION,AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1979-08-23 WO disclosed