SCHEMBL26529440

SCHEMBL26529440

CCCCOC(=O)C(C)CNC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
KDM4E B2RXH2 1/20 0.42
EPHX1 P07099 6/20 0.40
TSHR P16473 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
SCHEMBL3667979 0.84 KDM4E (0.47) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL3671063 0.83 LMNA (0.44) LMNACYP1A2CYP2D6SCN1ASCN2A
Acetic Acid SCHEMBL3668148 0.81 LMNA (0.47) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL26529443 0.80 KDM4E (0.46) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL1202906 0.79 KDM4E (0.47) EPHX2LMNACYP1A2CYP2D6SCN1A
SCHEMBL9845989 0.76 TSHR (0.43) EPHX2LMNACYP1A2CYP2D6EPHX1
SCHEMBL3670044 0.76 LMNA (0.43) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL27999409 0.76 CYP3A4 (0.37) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL26529444 0.76 LMNA (0.45) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL13387496 0.75 TSHR (0.43) EPHX2LMNACYP1A2CYP2D6TSHR

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
US-20230321591-A1 Beta-Amino Carboxylate (BAC) Solvents for Enhanced CO2 Separations BATTELLE MEMORIAL INSTITUTE 2023-10-12 US disclosed
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