SCHEMBL13241012

SCHEMBL13241012

NC(CC1CCCCC1)P(=O)(O)C/C(=C\c1cccc(I)c1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPEP1 P16444 10/20 1.00
ACP3 P15309 1/20 0.34
METAP2 P50579 4/20 0.33
METAP1 P53582 2/20 0.33
GPR88 Q9GZN0 1/20 0.32
ANPEP P15144 2/20 0.32
ERAP2 Q6P179 2/20 0.32

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
SCHEMBL13241013 1.00 DPEP1 (1.00) DPEP1ACP3METAP2METAP1GPR88
SCHEMBL13240775 0.85 DPEP1 (1.00) DPEP1METAP2METAP1
SCHEMBL13241006 0.81 DPEP1 (1.00) DPEP1ACP3METAP2METAP1
SCHEMBL13241008 0.81 DPEP1 (1.00) DPEP1METAP2METAP1
SCHEMBL13241009 0.81 DPEP1 (1.00) DPEP1ACP3METAP2METAP1
SCHEMBL13241007 0.81 DPEP1 (1.00) DPEP1METAP2METAP1
SCHEMBL13240773 0.80 DPEP1 (1.00) DPEP1METAP2METAP1
SCHEMBL13240771 0.80 DPEP1 (1.00) DPEP1
SCHEMBL13240776 0.80 DPEP1 (1.00) DPEP1
SCHEMBL13240770 0.80 DPEP1 (1.00) DPEP1METAP2METAP1

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-7785564-B2 an enzyme overexpressed in benign and malignant colon tumors; Aminophosphinic acid derivatives used therapeutically and diagnostically for treatment and detection of tumors THE JOHNS HOPKINS UNIVERSITY (US) 2010-08-31 US disclosed