SCHEMBL28071209

SCHEMBL28071209

CCCC(CC(=O)O)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.42
CPB2 Q96IY4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GABRA5 P31644 3/20 0.35
GABRB2 P47870 3/20 0.35
GABRA1 P14867 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRE P78334 1/20 0.35
PMP22 Q01453 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35

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
SCHEMBL30514318 0.82 ALDH1A1 (0.62) ALDH1A1SLC6A3GPR84EPHX1
SCHEMBL8436215 0.81 CPN1 (0.35) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL13316254 0.78 CPN1 (0.41) CPN1CPB2ALDH1A1GABRA5GABRB2
Acetic Acid SCHEMBL29252518 0.78 GNAI3 (0.42) CPN1CPB2GPR84GNAI3GNAO1
SCHEMBL13259736 0.77 CPN1 (0.33) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL28034069 0.76 CPN1 (0.46) CPN1CPB2GABRA5GABRB2GABRA1
SCHEMBL28301971 0.75 CPN1 (0.62) CPN1CPB2GABRA5GABRB2GABRA1
SCHEMBL12462120 0.74 CPN1 (0.47) CPN1CPB2ALDH1A1GABRA5GABRB2
SCHEMBL6050191 0.74 CPN1 (0.47) CPN1CPB2ALDH1A1GABRA5GABRB2
SCHEMBL19103004 0.74 GNAI3 (0.34) CPN1CPB2GNAI3GNAO1GNAI1

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
CN-103068830-B Arginase inhibitors and therapeutic uses thereof 马尔斯公司 2016-06-29 CN disclosed