SCHEMBL28693236

SCHEMBL28693236

CC(CCCCN(C)C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.38
CA1 P00915 2/20 0.36
LTA4H P09960 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
CYP1A2 P05177 1/20 0.35
HRH2 P25021 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.35
DNM1 Q05193 2/20 0.34
KDM4A O75164 6/20 0.34
KDM4C Q9H3R0 6/20 0.34
KDM5A P29375 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL7159682 0.94 NOS2 (0.38) ALDH1A1TSHRHSD17B10CA1LTA4H
Hydrochloric Acid SCHEMBL21197485 0.92 ALDH1A1 (0.37) ALDH1A1TSHRHSD17B10HRH4CYP1A2
SCHEMBL7508980 0.85 CHRNB2 (0.36) ALDH1A1CA1HRH4CYP1A2HRH2
Hydrochloric Acid SCHEMBL21197508 0.83 CHRNB2 (0.35) ALDH1A1CA1TDP1USP2NOS3
SCHEMBL9763558 0.82 CA1 (0.44) ALDH1A1CA1LTA4HNOS2
SCHEMBL25468996 0.81 LTA4H (0.50) ALDH1A1TSHRLTA4HCYP1A2KDM4A
SCHEMBL8062393 0.81 LTA4H (0.50) ALDH1A1TSHRLTA4HCYP1A2KDM4A
SCHEMBL4567943 0.81 ALDH1A1 (0.42) ALDH1A1TSHRCA1USP2DNM1
SCHEMBL5816226 0.80 CA1 (0.43) ALDH1A1CA1LTA4HNOS2
SCHEMBL15340966 0.79 BLM (0.44) CA1LTA4HCYP1A2

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
CN-113897190-B Surfactant for improving water injection efficiency of low-permeability reservoir and preparation method and application thereof 山东德仕化工有限公司 2022-04-05 CN disclosed
CN-113897190-A Surfactant for improving water injection efficiency of low-permeability reservoir and preparation method and application thereof 山东德仕化工有限公司 2022-01-07 CN disclosed