SCHEMBL9447208

SCHEMBL9447208

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
SLC7A5 Q01650 1/20 0.31
TP53 P04637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL10666878 1.00 CYP1A2 (0.39) CYP1A2CYP2D6ARG1ARG2SLC7A5
SCHEMBL7613000 0.86 CYP1A2 (0.43) CYP1A2CYP2D6ARG1ARG2SLC7A5
SCHEMBL28690829 0.82 CYP1A2 (0.38) CYP1A2CYP2D6TP53
SCHEMBL681235 0.82 SLC7A5 (0.35) CYP1A2CYP2D6SLC7A5ALDH1A1
SCHEMBL28681865 0.82 CYP1A2 (0.38) CYP1A2CYP2D6TP53
SCHEMBL28019557 0.77 CYP1A2 (0.38) CYP1A2CYP2D6ARG1ARG2
SCHEMBL27974221 0.77 TDP1 (0.35) CYP1A2CYP2D6ARG1ARG2SLC7A5
SCHEMBL9447332 0.77 CYP1A2 (0.32) CYP1A2CYP2D6ARG1ARG2ALDH1A1
SCHEMBL10665005 0.77 CYP1A2 (0.32) CYP1A2CYP2D6ARG1ARG2ALDH1A1
SCHEMBL14915715 0.73 DGAT1 (0.37) CYP1A2CYP2D6ARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113993880-A Cyclic peptide, cell scaffold material, cell separation material and culture medium 富士胶片株式会社 2022-01-28 CN disclosed
US-5212069-A Forming dipeptides from amides and glycine, cysteine or methionine DEGUSSA AKTIENGESELLSCHAFT (DE) 1993-05-18 US disclosed
US-5134073-A Culture product of zoogloea ramigera DEGUSSA AKTIENGESELLSCHAFT (DE) 1992-07-28 US disclosed