SCHEMBL29286830

SCHEMBL29286830

CCCCCCCCCCCCCCCCCCC(CC)C(N)CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
CYP2D6 P10635 2/20 0.45
SPHK1 Q9NYA1 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
GMNN O75496 1/20 0.45
POLB P06746 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CETP P11597 1/20 0.45
HTT P42858 1/20 0.45
UBE2N P61088 1/20 0.45
LAP3 P28838 2/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41

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
SCHEMBL29173995 1.00 OPRM1 (0.46) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL29286431 1.00 OPRM1 (0.46) OPRM1CYP2D6SPHK1LMNATP53
Hydrochloric Acid SCHEMBL28981871 0.98 OPRM1 (0.44) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL4946266 0.91 OPRM1 (0.46) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL4950681 0.91 OPRM1 (0.46) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL4954386 0.91 OPRM1 (0.46) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL4446153 0.91 OPRM1 (0.50) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL8293096 0.91 ALDH1A1 (0.41) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL516457 0.88 OPRM1 (0.48) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL10381780 0.88 OPRM1 (0.42) OPRM1CYP2D6SPHK1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113301965-A Hair care system, hair care method and use of hair care system 欧莱雅 2021-08-24 CN disclosed