SCHEMBL10367159

SCHEMBL10367159

CC(=O)C(CCc1ccccn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.53
CYP1A2 P05177 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CYP2C19 P33261 2/20 0.49
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HRH1 P35367 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 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
SCHEMBL7075416 0.90 PTPRA (0.59) PTPRACYP1A2SMN1; SMN2CYP2C19LMNA
SCHEMBL10985871 0.83 PTPRA (0.65) PTPRACYP1A2SMN1; SMN2CYP2C19TSHR
SCHEMBL11878046 0.82 PTPRA (0.54) PTPRACYP1A2SMN1; SMN2CYP2C19TSHR
SCHEMBL7205140 0.81 PTPRA (0.57) PTPRACYP1A2SMN1; SMN2CYP2C19LMNA
SCHEMBL5966574 0.81 LMNA (0.49) CYP1A2SMN1; SMN2CYP2C19ALDH1A1LMNA
SCHEMBL7810585 0.79 TDP1 (0.54) CYP1A2SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL1768948 0.79 SLC1A5 (0.56) PTPRACYP1A2SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL30428132 0.79 SLC1A5 (0.56) PTPRACYP1A2SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL1176394 0.79 SLC1A5 (0.56) PTPRACYP1A2SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL1130371 0.79 PTPRA (0.54) PTPRACYP1A2SMN1; SMN2CYP2C19LMNA

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-0394243-A1 PROCESS FOR MANUFACTURING CARBOXYLIC ACIDS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1990-10-31 EP disclosed
WO-1988009331-A1 PROCESS FOR MANUFACTURING CARBOXYLIC ACIDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-12-01 WO disclosed