SCHEMBL28215917

SCHEMBL28215917

CCCCN(CCCC)CCCC.[CH2]C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
KDM5A P29375 3/20 0.39
DNM1 Q05193 3/20 0.38
THRB P10828 1/20 0.38
PHF8 Q9UPP1 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
Ethylene SCHEMBL15951723 0.93 CA12 (0.42) CA12CA1CA9TSHRLMNA
SCHEMBL896 0.93 TSHR (0.46) CA12CA1CA9TSHRLMNA
SCHEMBL27566038 0.93 TSHR (0.46) CA12CA1CA9TSHRLMNA
SCHEMBL3904839 0.93 TSHR (0.46) CA12CA1CA9TSHRLMNA
SCHEMBL5189587 0.90 CA12 (0.40) CA12CA1CA9TSHRLMNA
Bromide SCHEMBL466549 0.89 DNM1 (0.45) CA12CA1CA9TSHRLMNA
Water SCHEMBL8722192 0.89 CA12 (0.43) CA12CA1CA9TSHRLMNA
SCHEMBL1897739 0.89 CA12 (0.43) CA12CA1CA9TSHRLMNA
Hydrogen Sulfide SCHEMBL11505777 0.89 CA12 (0.43) CA12CA1CA9TSHRLMNA
Iodide SCHEMBL328995 0.89 CA12 (0.43) CA12CA1CA9TSHRLMNA

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
CN-107922590-A For manufacturing the stabilization high glass-transition temperature epoxy resin system of composite material 陶氏环球技术有限责任公司 2018-04-17 CN claimed