SCHEMBL8019781

SCHEMBL8019781

CCCCCCCCCCCCC(N)CCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
PLA2G1B P04054 1/20 0.58
PLA2G2A P14555 1/20 0.58
S1PR2 O95136 5/20 0.57
S1PR1 P21453 5/20 0.57
S1PR3 Q99500 5/20 0.57
S1PR4 O95977 4/20 0.57
OPRM1 P35372 1/20 0.55
SPHK1 Q9NYA1 2/20 0.50
CYP2D6 P10635 2/20 0.46
LMNA P02545 2/20 0.46
GMNN O75496 1/20 0.46
POLB P06746 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL12534568 1.00 ALDH1A1 (0.59) ALDH1A1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL6900427 1.00 ALDH1A1 (0.59) ALDH1A1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL15888354 1.00 ALDH1A1 (0.59) ALDH1A1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL14406883 1.00 ALDH1A1 (0.59) ALDH1A1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL14364607 1.00 ALDH1A1 (0.59) ALDH1A1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL2667087 1.00 ALDH1A1 (0.59) ALDH1A1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL10953504 1.00 ALDH1A1 (0.59) ALDH1A1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL3236786 1.00 ALDH1A1 (0.59) ALDH1A1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL3245584 1.00 ALDH1A1 (0.59) ALDH1A1PLA2G1BPLA2G2AS1PR2S1PR1
SCHEMBL2233450 1.00 ALDH1A1 (0.59) ALDH1A1PLA2G1BPLA2G2AS1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002536-A2 2-Amino, 4-alkylamino pyrimidine 3-oxydes as soothing agents for the skin L'OREAL (FR) 2000-05-24 EP claimed
EP-0974586-A1 2-amino-4-alkylamino-pyrimidine 3-oxydes and compositions containing same L'OREAL (FR) 2000-01-26 EP claimed
CN-115369155-A System and method for determining genetic characteristics using magnetically responsive sensors 亿明达股份有限公司 2022-11-22 CN disclosed
CN-109422668-A A kind of long-acting Rasagiline prodrug and its preparation method and application 广州市恒诺康医药科技有限公司 2019-03-05 CN disclosed
EP-1002536-A2 2-Amino, 4-alkylamino pyrimidine 3-oxydes as soothing agents for the skin L'OREAL (FR) 2000-05-24 EP disclosed
EP-0974586-A1 2-amino-4-alkylamino-pyrimidine 3-oxydes and compositions containing same L'OREAL (FR) 2000-01-26 EP disclosed
US-4346087-A CORROSION RESISTANCE TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-24 US disclosed