SCHEMBL9514550

SCHEMBL9514550

O=C(CO)NC(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.63
MBTPS1 Q14703 1/20 0.62
TACR1 P25103 3/20 0.61
POLB P06746 1/20 0.59
TYR P14679 2/20 0.54
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 2/20 0.51
THRB P10828 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 1/20 0.51
S1PR1 P21453 1/20 0.51
CTRB1 P17538 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL9514554 1.00 ACE (0.63) ACEMBTPS1TACR1POLBTYR
SCHEMBL13819263 0.88 ACE (0.63) ACEMBTPS1TACR1POLBTYR
SCHEMBL9385728 0.87 TP53 (0.60) TACR1POLBALDH1A1CYP2C9THRB
SCHEMBL9146866 0.87 TP53 (0.60) TACR1POLBALDH1A1CYP2C9THRB
SCHEMBL9146870 0.87 TP53 (0.60) TACR1POLBALDH1A1CYP2C9THRB
SCHEMBL9385733 0.87 TP53 (0.60) TACR1POLBALDH1A1CYP2C9THRB
SCHEMBL18515876 0.87 ACE (0.62) ACEMBTPS1TACR1POLBTYR
SCHEMBL30516239 0.87 ACE (0.62) ACEMBTPS1TACR1POLBTYR
SCHEMBL18429658 0.87 ACE (0.62) ACEMBTPS1TACR1POLBTYR
SCHEMBL13296315 0.87 TACR1 (0.64) ACEMBTPS1TACR1POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266950-B1 Nor-statine and nor-cyclostatine polypeptides PFIZER (US) 1993-12-29 EP disclosed
US-5034376-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1991-07-23 US disclosed
US-4935405-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1990-06-19 US disclosed
US-4814342-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1989-03-21 US disclosed
EP-0266950-A2 Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1988-05-11 EP disclosed