Propane

Propane

SCHEMBL8856062

C=C(C(=O)O)C(C)(C)C.CCC

nearest known ligand 0.39

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.39
FFAR3 O14843 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2137763 0.91 TET2 (0.39) TET2HMGCRCHRM1TBXA2RADRA1A
SCHEMBL23950 0.91
SCHEMBL9524750 0.85 TET2 (0.43) TET2FFAR3
Methacrylic Acid SCHEMBL7560025 0.83 TDP1 (0.36) TET2FFAR3TSHRALDH1A1
SCHEMBL8732379 0.82 TET2 (0.32) TET2
Butadiene SCHEMBL16538076 0.81 TET2 (0.33) TET2TSHRALDH1A1
Trifluoroacetic Acid SCHEMBL27569735 0.79 TET2 (0.37) TET2TSHRALDH1A1
Acrylic Acid SCHEMBL7053348 0.79 LMNA (0.50) TET2TSHRALDH1A1
SCHEMBL27581205 0.79 TET2 (0.32) TET2
Sulfuric Acid SCHEMBL5416918 0.79 TET2 (0.32) TET2

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-1997002135-A1 MODIFIED WOOD WITH SURFACE COATINGS NICHOLAS DARREL D (US) 1997-01-23 WO disclosed