SCHEMBL21083190

SCHEMBL21083190

N[C@@H](CCCCCC1OCCO1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.50
ARG2 P78540 4/20 0.46
ARG1 P05089 3/20 0.46
NOS2 P35228 7/20 0.44
NOS1 P29475 5/20 0.41
NOS3 P29474 4/20 0.41
CYP1A2 P05177 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 2/20 0.41
GLA P06280 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRIN2D O15399 1/20 0.39

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
SCHEMBL826645 1.00 GSR (0.50) GSRARG2ARG1NOS2NOS1
SCHEMBL10238195 0.98 GSR (0.52) GSRARG2ARG1NOS2NOS1
SCHEMBL826933 0.93 GSR (0.48) GSRARG2ARG1NOS2NOS1
SCHEMBL5668298 0.93 GSR (0.48) GSRARG2ARG1NOS2NOS1
SCHEMBL231631 0.93 GSR (0.48) GSRARG2ARG1NOS2NOS1
SCHEMBL19417862 0.86 GSR (0.46) GSRARG2ARG1NOS2NOS1
SCHEMBL15634459 0.85 GSR (0.45) GSRARG2ARG1CYP1A2BLM
SCHEMBL826512 0.85 GSR (0.45) GSRARG2ARG1CYP1A2BLM
SCHEMBL12905680 0.82 NOS2 (0.34) GSRARG2ARG1NOS2NOS1
SCHEMBL18713274 0.80 GSR (0.41) GSRARG2ARG1NOS2NOS1

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-4389145-A2 INTERLEUKIN-2 POLYPEPTIDE CONJUGATES AND THEIR USES Ambrx, Inc. (US) 2024-06-26 EP disclosed
EP-2605789-B1 MODIFIED RELAXIN POLYPEPTIDES AND THEIR USES AMBRX INC (US) 2019-06-05 EP disclosed