SCHEMBL4960066

SCHEMBL4960066

Cc1ccccc1NC(=O)CC(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.62
ALOX12 P18054 1/20 0.62
POLB P06746 1/20 0.59
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
GAA P10253 1/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 2/20 0.57
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57

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
SCHEMBL28984809 0.86 HPGD (0.58) HPGDALOX12RAB9ANPC1GAA
SCHEMBL9979348 0.84 HPGD (0.60) HPGDALOX12POLBRAB9ANPC1
SCHEMBL9978909 0.83 HPGD (0.58) HPGDALOX12RAB9ANPC1GAA
SCHEMBL6255583 0.83 P2RX7 (0.72) HPGDALOX12RAB9ANPC1ALDH1A1
SCHEMBL5923731 0.83 P2RX7 (0.72) HPGDALOX12POLBRAB9ANPC1
SCHEMBL2005846 0.83 RAB9A (0.73) HPGDALOX12POLBRAB9ANPC1
SCHEMBL29528561 0.83 RAB9A (0.73) HPGDALOX12POLBRAB9ANPC1
SCHEMBL27713876 0.82 POLB (0.59) HPGDPOLBRAB9AGAAALDH1A1
SCHEMBL10582815 0.81 HPGD (0.53) HPGDALOX12RAB9ANPC1ALDH1A1
SCHEMBL24485241 0.81 POLB (0.57) HPGDPOLBRAB9AGAAALDH1A1

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-1966176-A1 HETEROCYCLIC GABA-B MODULATORS AstraZeneca AB (SE) 2008-09-10 EP claimed
WO-2007073296-A1 HETEROCYCLIC GABA-B MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO claimed