SCHEMBL25833953

SCHEMBL25833953

NC(=S)NCC1CCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.50
CYP2D6 P10635 1/20 0.50
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
CA9 Q16790 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL1605066 1.00 EPHX1 (0.50) EPHX1CYP2D6CA2CA12CA1
SCHEMBL2282942 1.00 EPHX1 (0.50) EPHX1CYP2D6CA2CA12CA1
SCHEMBL8391864 0.98 TDP1 (0.48) EPHX1CYP2D6CA2CA12CA1
SCHEMBL1960773 0.88
SCHEMBL7783075 0.81 CA12 (0.55) EPHX1CYP2D6CA2CA12CA1
SCHEMBL21357660 0.78 EPHX1 (0.50) EPHX1CYP2D6SMN1; SMN2ALDH1A1HPGD
SCHEMBL15563591 0.78 HDAC3 (0.40) EPHX1CYP2D6CA2CA12CA1
SCHEMBL13003047 0.78 LMNA (0.50) EPHX1CYP2D6CA2CA12CA1
SCHEMBL16935657 0.77 EPHX1 (0.50) EPHX1CYP2D6CA2CA12CA1
SCHEMBL20155192 0.77 EPHX1 (0.50) EPHX1CYP2D6CA2CA12CA1

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-2023135839-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