Hexadecylamine

Hexadecylamine

SCHEMBL7554404

CCCCCCCCCCCCCCCCN.CCCCP(CCCC)(CCCC)(CCCC)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DNM1 Q05193 8/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
ALB P02768 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
P2RY12 Q9H244 1/20 0.34
CNR2 P34972 1/20 0.34
PLA2G2C Q5R387 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
SCHEMBL514092 0.92 MCHR1 (0.46) MCHR1ALDH1A1SMN1; SMN2TSHRCYP2C9
SCHEMBL524732 0.92 MCHR1 (0.46) MCHR1ALDH1A1SMN1; SMN2TSHRCYP2C9
SCHEMBL305722 0.90 SMN1; SMN2 (0.42) MCHR1ALDH1A1SMN1; SMN2TSHRCYP2C9
SCHEMBL8725762 0.83 MCHR1 (0.42) MCHR1ALDH1A1SMN1; SMN2TSHRCYP2C9
SCHEMBL3671895 0.80 GAA (0.44) ALDH1A1SMN1; SMN2TSHRCYP2C9CYP3A4
SCHEMBL4607771 0.79 CA2 (0.54) ALDH1A1SMN1; SMN2CYP3A4LMNA
SCHEMBL14840202 0.79 MCHR1 (0.47) MCHR1ALDH1A1SMN1; SMN2TSHRCYP2C9
Hydrochloric Acid SCHEMBL10968741 0.77 TDP1 (0.41) ALDH1A1TSHRTDP1
SCHEMBL306553 0.77 SMN1; SMN2 (0.41) MCHR1ALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL4456402 0.77 TDP1 (0.42) ALDH1A1TSHRTDP1

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
EP-0667366-B1 Process for the production of aromatic polycarbonate TEIJIN LTD (JP) 2002-06-26 EP disclosed
US-5516878-A CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD TEIJIN LIMITED (JP) 1996-05-14 US disclosed
EP-0667366-A2 Process for the production of aromatic polycarbonate TEIJIN LIMITED (JP) 1995-08-16 EP disclosed