SCHEMBL20577016

SCHEMBL20577016

CCCCCCCCCC(=O)N(CC)c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.56
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
RARB P10826 7/20 0.48
PLA2G4B P0C869 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL17439411 0.86 TP53 (0.60) LTB4R2TP53TSHRMEN1ALDH1A1
SCHEMBL11518360 0.86 TP53 (0.60) LTB4R2TP53TSHRMEN1ALDH1A1
SCHEMBL11044467 0.83 TP53 (0.50) LTB4R2TP53TSHRRARBPLA2G4B
SCHEMBL4683525 0.81 LTB4R2 (0.46) LTB4R2TP53TSHRMEN1ALDH1A1
SCHEMBL27644441 0.81 LTB4R2 (0.49) LTB4R2TP53TSHRRARBPLA2G4B
SCHEMBL8012786 0.81 TP53 (0.42) LTB4R2TP53TSHRALDH1A1
SCHEMBL17333743 0.79 TP53 (0.64) LTB4R2TP53TSHRMEN1ALDH1A1
SCHEMBL8015962 0.78 TP53 (0.42) LTB4R2TP53TSHRALDH1A1
SCHEMBL27570580 0.78 TP53 (0.51) TP53TSHRRARBPLA2G4BMEN1
SCHEMBL13711648 0.78 LTB4R2 (0.76) LTB4R2RARBMEN1ALDH1A1RARA

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-2018218281-A1 INHIBITING HYDROCARBON HYDRATE AGGLOMERATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-12-06 WO disclosed