SCHEMBL7270118

SCHEMBL7270118

CCCCOC(=O)[C@H](CCc1ccccc1)NCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.46
S1PR1 P21453 4/20 0.45
S1PR3 Q99500 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
S1PR5 Q9H228 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HDAC3 O15379 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 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
Hydrochloric Acid SCHEMBL11206033 0.87 SMN1; SMN2 (0.50) SMN1; SMN2HDAC3CYP3A4TDP1
SCHEMBL7263532 0.79 ACE (0.52) CTSKCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL7265453 0.79 ACE (0.61)
Norleucine SCHEMBL7430731 0.79 NOD1 (0.48) CTSKS1PR1S1PR3CYP1A2CYP2C9
SCHEMBL6423726 0.79 GGT1 (0.57) SMN1; SMN2HDAC3MAPK1
SCHEMBL16732115 0.77 TDP1 (0.52) CTSKCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8084072 0.77 EPHX2 (0.41) NPSR1ALDH1A1TDP1L3MBTL1
SCHEMBL7382823 0.77 NOD1 (0.52) S1PR1S1PR3CYP1A2CYP2C9CYP2C19
SCHEMBL28004307 0.77 TDP1 (0.57) CTSKMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14307823 0.76 TSHR (0.51) CTSKCYP1A2CYP2C9CYP2C19MEN1

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-4508727-A Antihypertensive 2-oxo-imidazolidine derivatives TANABE SEIYAKU CO., LTD. (JP) 1985-04-02 US disclosed
EP-0095163-A2 2-Oxo-imidazolidine compounds, a process for preparing the same and a pharmaceutical composition Tanabe Seiyaku Co., Ltd. (JP) 1983-11-30 EP disclosed