SCHEMBL4670374

SCHEMBL4670374

CCCCCCCCCCCCCCCCCC(N)CCN(CC)CC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.74
PLA2G2A P14555 1/20 0.74
S1PR2 O95136 5/20 0.47
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR4 O95977 4/20 0.47
OPRM1 P35372 1/20 0.43
SPHK1 Q9NYA1 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL4736637 0.85 PLA2G1B (1.00) PLA2G1BPLA2G2AS1PR2S1PR1S1PR3
Bromide SCHEMBL5547174 0.84 PLA2G1B (0.60) PLA2G1BPLA2G2AS1PR2S1PR1S1PR3
Bromide SCHEMBL6385117 0.84 PLA2G1B (0.60) PLA2G1BPLA2G2AS1PR2S1PR1S1PR3
Bromide SCHEMBL3266475 0.84 PLA2G1B (0.60) PLA2G1BPLA2G2AS1PR2S1PR1S1PR3
Bromide SCHEMBL5541245 0.84 PLA2G1B (0.60) PLA2G1BPLA2G2AS1PR2S1PR1S1PR3
Bromide SCHEMBL29088008 0.84 PLA2G1B (0.60) PLA2G1BPLA2G2AS1PR2S1PR1S1PR3
Bromide SCHEMBL3059784 0.84 PLA2G1B (0.60) PLA2G1BPLA2G2AS1PR2S1PR1S1PR3
Bromide SCHEMBL5134179 0.84 PLA2G1B (0.60) PLA2G1BPLA2G2AS1PR2S1PR1S1PR3
SCHEMBL30601205 0.83 PLA2G1B (0.61) PLA2G1BPLA2G2AS1PR2S1PR1S1PR3
SCHEMBL23141152 0.82 PLA2G1B (0.62) PLA2G1BPLA2G2AS1PR2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200060-B1 SELF-WARMING HAIR CARE COMPOSITIONS UNILEVER PLC (GB) 2008-09-03 EP disclosed
US-6540989-B2 Anhydrous, comprising a glycol, a quaternary ammonium compound, an amidoamine, and a silicone; generates heat of solution upon contact with water; good rheology, conditioning properties UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-04-01 US disclosed
EP-1200060-A1 SELF-WARMING HAIR CARE COMPOSITIONS UNILEVER PLC (GB) 2002-05-02 EP disclosed
EP-1139979-A1 SELF-WARMING HAIR CONDITIONING COMPOSITIONS UNILEVER PLC (GB) 2001-10-10 EP disclosed
US-20010016201-A1 SELFWARMING RINSE OUT HAIR CARE COMPOSITIONS UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-08-23 US disclosed
US-6274128-B1 FOR SHAMPOOING AND CONDITIONING HAIR UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-08-14 US disclosed
WO-2001008654-A1 SELF-WARMING RINSE CARE COMPOSITIONS UNILEVER PLC (GB) 2001-02-08 WO disclosed
WO-2000038621-A1 SELF-WARMING HAIR CONDITIONING COMPOSITIONS UNILEVER PLC (GB) 2000-07-06 WO disclosed