SCHEMBL8845085

SCHEMBL8845085

OC1CCCCCCCCCCCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
MLNR O43193 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
FYN P06241 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38

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
SCHEMBL2589431 1.00 MEN1 (0.38) MEN1KMT2ACYP2D6TSHRLMNA
SCHEMBL12470582 1.00 MEN1 (0.38) MEN1KMT2ACYP2D6TSHRLMNA
SCHEMBL8844911 1.00 MEN1 (0.38) MEN1KMT2ACYP2D6TSHRLMNA
SCHEMBL1059947 1.00
SCHEMBL18534321 1.00 MEN1 (0.38) MEN1KMT2ACYP2D6TSHRLMNA
SCHEMBL19249362 1.00 MEN1 (0.38) MEN1KMT2ACYP2D6TSHRLMNA
Hydrochloric Acid SCHEMBL27758922 0.97
SCHEMBL69143 0.97
Methane SCHEMBL705841 0.94
Hydrochloric Acid SCHEMBL16777054 0.94

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658954-A NONTOXIC TO HUMAN, ANIMALS; MIXTURE OF COTTONSEED OIL AMIDE, COCONUT OIL AMIDE, TALL OIL AMIDE, NONIONIC SURFACTANT, CHELATE COMPOUND AND FLOW CONTROL AGENT TARGOSZ EUGENE F (US) 1997-08-19 US disclosed
WO-1997027746-A1 WHITEFLY INSECTICIDE TARGOSZ EUGENE F (US) 1997-08-07 WO disclosed
US-5496857-A ALKANOL AMIDES OF COTTONSEED, COCONUT AND TALL OIL, NONIONIC SURFACTANTS TARGOSZ EUGENE F (US) 1996-03-05 US disclosed