Propane

Propane

SCHEMBL28549044

CCC.NNc1ccc(O)c(Br)c1

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.43
▸ ESR1 P03372 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CA12 O43570 4/20 0.37
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ PTPN11 Q06124 1/20 0.36
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SNCA P37840 1/20 0.34

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
Propane SCHEMBL28284698 0.78 TSHR (0.42) ALOX15ESR1ALOX12CA1CA2
SCHEMBL13145946 0.75 ALOX15 (0.50) ALOX15ESR1ALOX12CA12CA1
SCHEMBL28549041 0.73 ALOX15 (0.39) ALOX15ESR1ALOX12CA12CA1
SCHEMBL9036792 0.72 ARG1 (0.48) ALOX15CA12CA1CA2CA9
SCHEMBL18346160 0.72 CA12 (0.39) CA12CA1CA2CA9CA4
SCHEMBL11492524 0.71 NPC1 (0.42) CA12CA1CA2CA9CA4
SCHEMBL27995684 0.71 PDE10A (0.52) ALOX15ESR1ALOX12MAPTKDM4E
SCHEMBL3720647 0.71 ALOX15 (0.45) ALOX15ALOX12ABCB1JAK3ABCG2
Hydrochloric Acid SCHEMBL28652475 0.69 ALDH1A1 (0.42) CA12CA1CA2CA9CA4
SCHEMBL11128532 0.69 ALOX15 (0.43) ALOX15ALOX12CA12CA1CA2

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-109651628-B Carbon nanotube reinforced polycarbonate composite material and preparation method thereof 深圳烯湾科技有限公司 2021-04-13 — — CN disclosed
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