SCHEMBL681301

SCHEMBL681301

C=C(C(C)C)[C@H](CCNCC1(O)CC1)c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
HSD11B1 P28845 2/20 0.31

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
SCHEMBL681364 0.88 CYP1A2 (0.34) ALOX5CYP1A2POLBFPR3FPR2
SCHEMBL14300655 0.85 CYP1A2 (0.39) ALOX5CYP1A2
SCHEMBL12028980 0.82 ALOX5 (0.35) ALOX5CYP1A2
SCHEMBL681418 0.80 ALDH1A1 (0.36) ALOX5CYP1A2
SCHEMBL681806 0.77 CYP1A2 (0.37) ALOX5CYP1A2POLB
SCHEMBL681240 0.77 ALOX5 (0.41) ALOX5CYP1A2
SCHEMBL17803820 0.74 PKM (0.39) ALOX5CYP1A2
SCHEMBL681415 0.73 CHRM2 (0.43) ALOX5CYP1A2
SCHEMBL680223 0.72 ALOX5 (0.42) ALOX5CYP1A2
SCHEMBL681303 0.71 MEN1 (0.36) POLBFPR2HSD11B1

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