SCHEMBL4064899

SCHEMBL4064899

C[C@H](N)C(=O)Oc1ccccc1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 3/20 0.54
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.51
TSHR P16473 3/20 0.51
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL8025090 0.83 ALDH1A1 (0.58) ALDH1A1TDP1HTTL3MBTL1TSHR
SCHEMBL7448412 0.83 ALDH1A1 (0.58) ALDH1A1TDP1HTTL3MBTL1TSHR
SCHEMBL8584218 0.83 ALDH1A1 (0.43) ALDH1A1TDP1HTTL3MBTL1TSHR
SCHEMBL2875064 0.82 KDM4E (0.62) ALDH1A1TDP1HTTL3MBTL1TSHR
SCHEMBL5710874 0.82 ALDH1A1 (0.65) ALDH1A1TDP1HTTL3MBTL1TSHR
SCHEMBL1282917 0.82 ALDH1A1 (0.65) ALDH1A1TDP1HTTL3MBTL1TSHR
SCHEMBL2135648 0.81 ALDH1A1 (0.59) ALDH1A1TDP1HTTL3MBTL1TSHR
SCHEMBL7445510 0.81 RAB9A (0.52) HTTL3MBTL1KMT2ARAB9APOLB
SCHEMBL24729065 0.81 ALDH1A1 (0.63) ALDH1A1TDP1HTTL3MBTL1TSHR
SCHEMBL5710869 0.81 ALDH1A1 (0.63) ALDH1A1TDP1HTTL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1039886-A4 HIV/FIV PROTEASE INHIBITORS HAVING A SMALL P3 RESIDUE SCRIPPS RESEARCH INST (US) 2001-05-16 EP claimed
EP-1039886-A1 HIV/FIV PROTEASE INHIBITORS HAVING A SMALL P3 RESIDUE The Cripps Research Institute (US) 2000-10-04 EP claimed
WO-1999029311-A1 HIV/FIV PROTEASE INHIBITORS HAVING A SMALL P3 RESIDUE THE SCRIPPS RESEARCH INSTITUTE (US) 1999-06-17 WO claimed
WO-2009122433-A2 A PROCESS FOR PREPARATION OF RAMIPRIL IPCA LABORATORIES LIMITED (IN) 2009-10-08 WO disclosed