SCHEMBL7007589

SCHEMBL7007589

CC(C)c1cc(C=O)cs1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.40
RAB9A P51151 4/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A3 P47895 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP2A6 P11509 2/20 0.31
GAA P10253 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL15330206 0.83 TYR (0.33) TYRALDH1A3
SCHEMBL15332123 0.83 TYR (0.33) TYRALDH1A3
SCHEMBL99567 0.74 ACHE (0.34) ALDH1A1
SCHEMBL27319961 0.71 RAB9A (0.32) RAB9APOLBNPC1ALDH1A1SMN1; SMN2
SCHEMBL12422 0.70
SCHEMBL786450 0.67 ALDH1A1 (0.34) RAB9APOLBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL346857 0.67
SCHEMBL9918172 0.67
SCHEMBL9967707 0.67
SCHEMBL24617832 0.65

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690863-B1 TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS ABBOTT LAB (US) 2003-03-05 EP disclosed
US-5597832-A TREATMENT OF NEUROLOGICAL, PSYCHOLOGICAL, CARDIOVASCULAR DISORDERS, AND SUBSTANCE ABUSE, BEHAVIOR DISORDERS, COGNITIVE IMPAIRMENT AND ATTENTION DEFICIT DISORDER ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
EP-0690863-A1 TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-01-10 EP disclosed
EP-0690863-A4 TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS ABBOTT LAB (US) 1995-11-07 EP disclosed
WO-1994022858-A1 TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1994-10-13 WO disclosed