SCHEMBL8893033

SCHEMBL8893033

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](CCCCCC[C@@H](C(=O)O)N(C(=O)OC)C1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
TSHR P16473 2/20 0.37
EPOR P19235 2/20 0.35
GPR3 P46089 1/20 0.35
KMT2A Q03164 2/20 0.35
FOLH1 Q04609 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8892535 1.00 CYP1A2 (0.37) CYP1A2TSHREPORGPR3KMT2A
SCHEMBL25182246 0.94 PRSS1 (0.37) KMT2A
SCHEMBL5548812 0.94 EPOR (0.42) CYP1A2TSHREPOR
SCHEMBL4738904 0.94 EPOR (0.42) CYP1A2TSHREPOR
SCHEMBL25179548 0.93 CYP1A2 (0.34) CYP1A2TSHREPORGPR3KMT2A
SCHEMBL1000116 0.93 BCHE (0.37) CYP1A2TSHRKMT2APOLBMAPT
SCHEMBL8158096 0.93 BCHE (0.37) CYP1A2TSHRKMT2APOLBMAPT
SCHEMBL30510257 0.93 BCHE (0.37) CYP1A2TSHRKMT2APOLBMAPT
SCHEMBL1000114 0.93 BCHE (0.37) CYP1A2TSHRKMT2APOLBMAPT
SCHEMBL4599820 0.92 KDM4E (0.41) CYP1A2TSHRGPR3KMT2AFOLH1

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-5610141-A CELL DIVISION STIMULANT NYCOMED IMAGING AS (NO) 1997-03-11 US disclosed
WO-1993024523-A1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY HAFSLUND NYCOMED AS (NO) 1993-12-09 WO disclosed