SCHEMBL17358795

SCHEMBL17358795

CCC(CC(C)C)C(=O)NCCN

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.55
TSHR P16473 1/20 0.55
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 2/20 0.43
ANPEP P15144 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
KISS1R Q969F8 3/20 0.40
MMP8 P22894 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
CYP2C19 P33261 1/20 0.37
RRM1 P23921 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
TERT O14746 2/20 0.36

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
SCHEMBL11810200 0.86 TSHR (0.74) USP2TSHRCA1CA2CA7
SCHEMBL16941024 0.80 USP2 (0.46) USP2TSHRCA1CA2CA7
SCHEMBL13821755 0.80 USP2 (0.52) USP2TSHRCA1CA2CA7
SCHEMBL23639991 0.80 ANPEP (0.46) USP2TSHRANPEPDNPEPKISS1R
SCHEMBL13821692 0.80 USP2 (0.52) USP2TSHRCA1CA2CA7
SCHEMBL18664263 0.79 TSHR (0.57) USP2TSHRCA1CA2CA7
SCHEMBL18664311 0.79 TSHR (0.57) USP2TSHRCA1CA2CA7
SCHEMBL19432330 0.79 TSHR (0.57) USP2TSHRCA1CA2CA7
SCHEMBL18379446 0.78 USP2 (0.47) USP2TSHRCA1CA2CA7
SCHEMBL11913576 0.78 GAA (0.49) USP2TSHRCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368122-A1 FILTER FOR THE TREATMENT OF LIQUIDS WITH MAGNETITE NANOPARTICLES AND CORRESPONDING METHODS UNIVERSITAT AUTONOMA DE BARCELONA (ES) 2015-12-24 US disclosed