SCHEMBL26529430

SCHEMBL26529430

CCCCNCC(C)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.40
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
EPHX1 P07099 1/20 0.36
POLB P06746 1/20 0.36
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
FAAH O00519 1/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL26529457 0.93 ANPEP (0.46) ANPEPERAP2TSHREPHX1FAAH
SCHEMBL11232368 0.87 CYP1A2 (0.42) ANPEPGAAPOLBMGAMSI
SCHEMBL26529454 0.84 GAA (0.44) KMT2AGAAPOLBMGAMSI
SCHEMBL11372828 0.84 CYP1A2 (0.40) ANPEPKMT2AGAAMEN1MGAM
SCHEMBL26570563 0.81 EPHX1 (0.44) ANPEPERAP2TSHREPHX1FAAH
SCHEMBL15283012 0.80 TSHR (0.42) ACHEANPEPERAP2KMT2ATSHR
SCHEMBL11119128 0.80 L3MBTL1 (0.44) KMT2AGAAPOLBMGAMSI
SCHEMBL28113852 0.80 ANPEP (0.47) ANPEPERAP2TSHREPHX1FAAH
SCHEMBL28114271 0.80 ANPEP (0.47) ANPEPERAP2TSHREPHX1FAAH
SCHEMBL17831007 0.79 KMT2A (0.36) KMT2ATSHRPOLB

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
US-20230321591-A1 Beta-Amino Carboxylate (BAC) Solvents for Enhanced CO2 Separations BATTELLE MEMORIAL INSTITUTE 2023-10-12 US disclosed
WO-2023192410-A1 BETA-AMINO CARBOXYLATE (BAC) SOLVENTS FOR ENHANCED CO2 SEPARATIONS BATTELLE MEMORIAL INSTITUTE (US) 2023-10-05 WO disclosed