SCHEMBL26451683

SCHEMBL26451683

CCC(C)(C)NC(C)(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.42
EPHX1 P07099 1/20 0.38
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
PKM P14618 1/20 0.32
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL6285315 0.80 KDM4C (0.38) KDM4CTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL30457937 0.78 TSHR (0.47) KDM4CTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL26451687 0.76 KDM4C (0.35) KDM4CTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL24814296 0.75 HPGD (0.34) EPHX1HPGDL3MBTL1KDM4EALDH1A1
SCHEMBL23504 0.74
SCHEMBL26451675 0.73 CYP4F2 (0.35) KDM4CALDH1A1
SCHEMBL9086982 0.73 TSHR (0.42) KDM4CTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL156987 0.71 TSHR (0.43) EPHX1TSHRALDH1A1
SCHEMBL11128751 0.70 EPHX1 (0.47) EPHX1HPGDL3MBTL1KDM4ETSHR
SCHEMBL2820709 0.70 EPHX1 (0.57) KDM4CEPHX1HPGDL3MBTL1KDM4E

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
WO-2023192701-A1 MEMBRANES FOR THE SEPARATION OF H2S FROM H2S-CO2 MIXTURES OHIO STATE INNOVATION FOUNDATION (US) 2023-10-05 WO disclosed