SCHEMBL9005591

SCHEMBL9005591

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.55
ARG2 P78540 1/20 0.55
CYP1A2 P05177 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41

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
SCHEMBL11083886 0.85 CYP1A2 (0.48) ARG1ARG2CYP1A2ALDH1A1MEN1
SCHEMBL9568397 0.80 ARG1 (0.56) ARG1ARG2CYP1A2ALDH1A1MEN1
SCHEMBL1097800 0.80 ARG1 (0.56) ARG1ARG2CYP1A2ALDH1A1MEN1
SCHEMBL2378789 0.78 CYP1A2 (0.45) ARG1ARG2CYP1A2ALDH1A1MEN1
SCHEMBL28584502 0.78 ODC1 (0.62) ARG1ARG2CYP1A2ALDH1A1MEN1
SCHEMBL28218941 0.77 ODC1 (0.66) ARG1ARG2CYP1A2THRBKMT2A
SCHEMBL14689712 0.77 ARG1 (0.62) ARG1ARG2CYP1A2ALDH1A1MEN1
SCHEMBL10653529 0.75 ARG1 (0.66) ARG1ARG2ALDH1A1MEN1THRB
SCHEMBL10653533 0.75 ARG1 (0.66) ARG1ARG2ALDH1A1MEN1THRB
SCHEMBL5004419 0.75 ARG1 (0.51) ARG1ARG2CYP1A2ALDH1A1MEN1

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
EP-0572167-B1 Cosmetic composition UNILEVER PLC (GB) 1996-10-09 EP disclosed
EP-0572167-A1 Cosmestic composition UNILEVER PLC (GB) 1993-12-01 EP disclosed