SCHEMBL25866853

SCHEMBL25866853

NCNCC1CCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
ADH1B P00325 1/20 0.50
ADH1C P00326 1/20 0.50
ADH1A P07327 1/20 0.50
ADH4 P08319 1/20 0.50
ADH7 P40394 1/20 0.50
EPHX1 P07099 3/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
GLB1 P16278 1/20 0.37

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
SCHEMBL25833993 1.00 CYP2D6 (0.50) CYP2D6ADH1BADH1CADH1AADH4
SCHEMBL6970877 1.00 CYP2D6 (0.50) CYP2D6ADH1BADH1CADH1AADH4
SCHEMBL6968624 0.97
SCHEMBL1678544 0.83 ADH1B (0.59) CYP2D6ADH1BADH1CADH1AADH4
SCHEMBL1679033 0.83 ADH1B (0.59) CYP2D6ADH1BADH1CADH1AADH4
SCHEMBL1679102 0.83 ADH1B (0.59) CYP2D6ADH1BADH1CADH1AADH4
SCHEMBL1678338 0.80 ADH1B (0.56) CYP2D6ADH1BADH1CADH1AADH4
SCHEMBL1678148 0.80 ADH1B (0.56) CYP2D6ADH1BADH1CADH1AADH4
SCHEMBL1679343 0.80 ADH1B (0.56) CYP2D6ADH1BADH1CADH1AADH4
SCHEMBL22210655 0.80 CYP2D6 (0.47) CYP2D6ADH1BADH1CADH1AADH4

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
WO-2023135837-A1 CARBON DIOXIDE ADSORBENT FOR AIR CONDITIONING, ADSORPTION DEVICE, AND AIR CONDITIONING DEVICE パナソニックIPマネジメント株式会社 2023-07-20 WO disclosed
WO-2023135838-A1 CARBON DIOXIDE ADSORBENT FOR AIR CONDITIONING, ADSORPTION DEVICE, AND AIR CONDITIONING DEVICE パナソニックIPマネジメント株式会社 2023-07-20 WO disclosed