Adamantaneacetic Acid

Adamantaneacetic Acid

SCHEMBL6531436

NC(=O)CC12CC3CC(CC(C3)C1)C2.O=C(O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ALDH1A1 P00352 6/20 0.53
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BPTF Q12830 1/20 0.46
LMNA P02545 1/20 0.45
P2RX7 Q99572 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1478949 0.92 ALDH1A1 (0.57) POLBALDH1A1TSHRNPSR1BPTF
Adamantaneacetic Acid SCHEMBL6865701 0.89 ALDH1A1 (0.62) POLBALDH1A1TSHRCYP3A4CYP2C19
Adamantaneacetic Acid SCHEMBL306081 0.89 ALDH1A1 (0.62) POLBALDH1A1TSHRCYP3A4CYP2C19
Adamantaneacetic Acid SCHEMBL24688608 0.89 ALDH1A1 (0.62) POLBALDH1A1TSHRCYP3A4CYP2C19
Adamantaneacetic Acid SCHEMBL4147939 0.87 ALDH1A1 (0.60) POLBALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL25879662 0.83
SCHEMBL17628790 0.80
Adamantaneacetic Acid SCHEMBL8131119 0.80 ALDH1A1 (0.53) POLBALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL24201886 0.78 ALDH1A1 (0.48) POLBALDH1A1TSHRNPSR1BPTF
SCHEMBL1160738 0.77 ALDH1A1 (0.43) ALDH1A1TSHRNPSR1BPTFLMNA

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-1606244-A2 CYCLOALKYLAMIDES AND THEIR THERAPEUTIC USE AS ANTIEPILEPTIC AND ANTICONVULSANT Abbott Laboratories (US) 2005-12-21 EP disclosed
WO-2004037769-A2 CYCLOALKYLAMIDES AND THEIR THERAPEUTIC USE AS ANTIEPILEPTIC AND ANTICONVULSANT ABBOTT LABORATORIES (US) 2004-05-06 WO disclosed