SCHEMBL3976898

SCHEMBL3976898

C=C(C)C(=O)OCCC(C[N+](C)(C)C)OP(=O)([O-])O.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
NPSR1 Q6W5P4 3/20 0.39
RAD52 P43351 1/20 0.39
ADRA1D P25100 1/20 0.38
PTAFR P25105 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
MAPT P10636 4/20 0.36
SLC25A20 O43772 3/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 2/20 0.36
CYP2D6 P10635 2/20 0.36
MEN1 O00255 2/20 0.36
GMNN O75496 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL17964294 0.95 TSHR (0.46) TSHRNPSR1RAD52MAPTSLC25A20
SCHEMBL1260811 0.91 TSHR (0.44) TSHRNPSR1RAD52ADRA1DPTAFR
SCHEMBL5673772 0.91 TSHR (0.44) TSHRNPSR1RAD52ADRA1DPTAFR
SCHEMBL80350 0.91 THRB (0.36) TSHRMAPTLMNAMEN1KMT2A
SCHEMBL1260101 0.90 TSHR (0.42) TSHRLMNAMEN1KMT2A
SCHEMBL31216396 0.88 TSHR (0.40) TSHRLMNAMEN1KMT2A
Methacrylic Acid SCHEMBL5479590 0.87 LMNA (0.35) TSHRLMNAMEN1KMT2A
SCHEMBL28251339 0.86 TSHR (0.48) TSHRNPSR1RAD52MAPTLMNA
SCHEMBL14989008 0.84 THRB (0.42) TSHRLMNAMEN1KMT2A
SCHEMBL3725308 0.83 TSHR (0.43) TSHRNPSR1ADRA1DPTAFRHTR1D

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-9833401-B2 Method for producing composition for external use containing physiologically acceptable salt of tranexamate CHANEL PARFUMS BEAUTE (FR) 2017-12-05 US disclosed
EP-2600823-B1 METHOD FOR PRODUCING COMPOSITION FOR EXTERNAL USE CONTAINING PHYSIOLOGICALLY ACCEPTABLE SALT OF TRANEXAMATE CHANEL PARFUMS BEAUTÉ (FR) 2016-05-11 EP disclosed
JP-2009091269-A HAIR COSMETIC AND COMPOSITION FOR HAIR SPRAY NAKANO SEIYAKU KK 2009-04-30 JP disclosed