SCHEMBL41076

SCHEMBL41076

CCCCCC(N)NC[Si](OCC)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
TP53 P04637 2/20 0.35
SPHK1 Q9NYA1 2/20 0.32
LAP3 P28838 2/20 0.32
CYP2D6 P10635 2/20 0.31
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
BLM P54132 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CETP P11597 1/20 0.31
HTT P42858 1/20 0.31
UBE2N P61088 1/20 0.31

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
SCHEMBL775011 0.84 OPRM1 (0.39) OPRM1TP53SPHK1LAP3CYP2D6
SCHEMBL5606987 0.81 OPRM1 (0.38) OPRM1TP53SPHK1LMNA
SCHEMBL615479 0.74
SCHEMBL3647863 0.72 OPRM1 (0.50) OPRM1TP53SPHK1LAP3CYP2D6
SCHEMBL2547793 0.72 OPRM1 (0.46) OPRM1TP53SPHK1LAP3CYP2D6
SCHEMBL16038562 0.72 OPRM1 (0.46) OPRM1TP53SPHK1LAP3CYP2D6
SCHEMBL28898791 0.70 OPRM1 (0.45) OPRM1TP53SPHK1LAP3CYP2D6
SCHEMBL18191908 0.70 ALDH1A1 (0.33) OPRM1PLA2G1BPLA2G2ACYP3A4
SCHEMBL18315356 0.70 OPRM1 (0.48) OPRM1TP53SPHK1LAP3CYP2D6
SCHEMBL20875301 0.70 OPRM1 (0.48) OPRM1TP53SPHK1LAP3CYP2D6

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
CN-115944726-A Chemically modified B 4 C nanoparticles and applications thereof 无锡市南京大学锡山应用生物技术研究所 2023-04-11 CN disclosed
US-20130171461-A1 METHODS FOR SYNTHESIS OF POLYMACROMOLECULES AND POLYMACROMOLECULAR BRUSHES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-04 US disclosed
WO-2012001241-A1 FUNCTIONALIZED FILMS, SENSORY FILMS, BIOSENSORS AND METHODS FOR MANUFACTURING THEM OULUN YLIOPISTO (FI) 2012-01-05 WO disclosed