SCHEMBL8907348

SCHEMBL8907348

CC(N)O.[CH2]CCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.52
OPRM1 P35372 1/20 0.44
LMNA P02545 3/20 0.43
CYP2D6 P10635 2/20 0.43
TP53 P04637 2/20 0.43
GMNN O75496 1/20 0.43
POLB P06746 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CETP P11597 1/20 0.43
HTT P42858 1/20 0.43
UBE2N P61088 1/20 0.43
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 2/20 0.39

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
Methylamine SCHEMBL27737721 0.81 TSHR (0.53) LMNATSHRTHRBMEN1KMT2A
SCHEMBL28324644 0.81
Methylamine SCHEMBL27324091 0.81 TSHR (0.53) LMNATSHRTHRBMEN1KMT2A
Methylamine SCHEMBL27737715 0.81 TSHR (0.53) LMNATSHRTHRBMEN1KMT2A
SCHEMBL629331 0.81 TSHR (0.61) LMNATSHRTHRBMEN1KMT2A
SCHEMBL8420 0.81
SCHEMBL199711 0.81 TSHR (0.61) LMNATSHRTHRBMEN1KMT2A
SCHEMBL158879 0.81 TSHR (0.61) LMNATSHRTHRBMEN1KMT2A
SCHEMBL8462 0.81 TSHR (0.61) LMNATSHRTHRBMEN1KMT2A
SCHEMBL284790 0.81 TSHR (0.61) LMNATSHRTHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231997-B1 SHAMPOO UNILEVER PLC (GB) 1992-08-05 EP claimed
EP-0231997-A2 Shampoo UNILEVER PLC (GB) 1987-08-12 EP claimed
US-5686024-A DIALLYLDIALKYLAMMONIUM SALT, UNSATURATED AMIDE, OXYALKYLATED ACRYLATE RHONE-POULENC SURFACTANTS & SPECIALTIES, L.P. (US) 1997-11-11 US disclosed
EP-0231997-B1 SHAMPOO UNILEVER PLC (GB) 1992-08-05 EP disclosed
EP-0395332-A1 Hair treatment composition UNILEVER PLC (GB) 1990-10-31 EP disclosed
EP-0231997-A2 Shampoo UNILEVER PLC (GB) 1987-08-12 EP disclosed