SCHEMBL680254

SCHEMBL680254

CC(C)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
EPHX1 P07099 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
AVPR1A P37288 5/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL679804 0.88 AVPR1A (0.41) LMNAAVPR1A
SCHEMBL680881 0.87 AVPR1A (0.41) POLBLMNAAVPR1AALDH1A1L3MBTL1
SCHEMBL20278026 0.86 AVPR1A (0.42) POLBSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL680886 0.85 CYP2C9 (0.44) RAB9AAVPR1AALDH1A1CYP2C9CYP2C19
SCHEMBL681663 0.80 BCHE (0.50) POLBEPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL680890 0.79 ACACB (0.44) POLBSMN1; SMN2GAARAB9ALMNA
SCHEMBL20892764 0.79 ACACB (0.44) POLBSMN1; SMN2GAARAB9ALMNA
SCHEMBL681500 0.77 SLC6A2 (0.46) POLBSMN1; SMN2GAARAB9ALMNA
SCHEMBL683680 0.75 LMNA (0.42) POLBLMNAAVPR1A
SCHEMBL12537186 0.75 ACACB (0.57) GAALMNA

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-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed