SCHEMBL10598985

SCHEMBL10598985

NC(=O)C[C@](N)(CCC(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.61
ALDH1A1 P00352 2/20 0.61
THRB P10828 2/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
ODC1 P11926 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
LMNA P02545 3/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ARG1 P05089 8/20 0.32
ARG2 P78540 5/20 0.32
GABRR3 A8MPY1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
HDAC3 O15379 1/20 0.31
GABBR2 O75899 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL27459648 0.86 ALDH1A1 (0.65) CYP1A2ALDH1A1THRBKMT2AMEN1
SCHEMBL9586044 0.84 CYP1A2 (0.74) CYP1A2ALDH1A1THRBKMT2AMEN1
SCHEMBL10512288 0.79 ALDH1A1 (0.40) CYP1A2ALDH1A1THRBKMT2AMEN1
SCHEMBL7021656 0.77 CYP1A2 (0.65) CYP1A2ALDH1A1THRBKMT2AMEN1
SCHEMBL10453104 0.77 THRB (0.65) CYP1A2ALDH1A1THRBKMT2AMEN1
SCHEMBL7021651 0.77 CYP1A2 (0.65) CYP1A2ALDH1A1THRBKMT2AMEN1
SCHEMBL7233790 0.77 CYP1A2 (0.65) CYP1A2ALDH1A1THRBKMT2AMEN1
SCHEMBL10453105 0.77 THRB (0.65) CYP1A2ALDH1A1THRBKMT2AMEN1
SCHEMBL10778584 0.76 CYP1A2 (0.63) CYP1A2ALDH1A1THRBKMT2AMEN1
SCHEMBL179812 0.76 ALDH1A1 (1.00) CYP1A2ALDH1A1THRBKMT2AMEN1

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
EP-0169812-B1 PHOSPHATIDYL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1989-08-23 EP claimed