SCHEMBL28620776

SCHEMBL28620776

CCCCCCCCCCCC(C)CCCC(C)N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.76
TP53 P04637 2/20 0.59
SPHK1 Q9NYA1 2/20 0.50
ACE2 Q9BYF1 1/20 0.50
LMNA P02545 3/20 0.46
CYP2D6 P10635 2/20 0.42
LAP3 P28838 2/20 0.42
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL19962953 0.98 OPRM1 (0.80) OPRM1TP53SPHK1ACE2LMNA
SCHEMBL14612121 0.98 OPRM1 (0.80) OPRM1TP53SPHK1ACE2LMNA
SCHEMBL12871156 0.93 OPRM1 (0.71) OPRM1TP53SPHK1ACE2LMNA
SCHEMBL37106 0.90 OPRM1 (0.94) OPRM1TP53SPHK1LMNACYP2D6
SCHEMBL20495961 0.90 OPRM1 (0.94) OPRM1TP53SPHK1LMNACYP2D6
SCHEMBL20495967 0.90 OPRM1 (0.94) OPRM1TP53SPHK1LMNACYP2D6
SCHEMBL20820762 0.90 OPRM1 (0.94) OPRM1TP53SPHK1LMNACYP2D6
SCHEMBL20495969 0.90 OPRM1 (0.94) OPRM1TP53SPHK1LMNACYP2D6
SCHEMBL633760 0.90 OPRM1 (0.94) OPRM1TP53SPHK1LMNACYP2D6
SCHEMBL20495958 0.90 OPRM1 (0.94) OPRM1TP53SPHK1LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476981-B Organoclay compositions and uses thereof 毕克化学有限公司 2021-08-13 CN claimed
CN-109476981-B Organoclay compositions and uses thereof 毕克化学有限公司 2021-08-13 CN disclosed