SCHEMBL29166558

SCHEMBL29166558

CCCCCCCCCCCC(N)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.55
SPHK1 Q9NYA1 2/20 0.50
MAPT P10636 2/20 0.48
CYP2D6 P10635 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
LAP3 P28838 2/20 0.46
PLA2G1B P04054 1/20 0.46
PLA2G2A P14555 1/20 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
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CETP P11597 1/20 0.46
HTT P42858 1/20 0.46
UBE2N P61088 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
SCHEMBL29098465 1.00
SCHEMBL2852656 1.00 OPRM1 (0.55) OPRM1SPHK1MAPTCYP2D6LMNA
SCHEMBL7638485 1.00 OPRM1 (0.55) OPRM1SPHK1MAPTCYP2D6LMNA
SCHEMBL2501737 1.00 OPRM1 (0.55) OPRM1SPHK1MAPTCYP2D6LMNA
SCHEMBL7070069 1.00 OPRM1 (0.55) OPRM1SPHK1MAPTCYP2D6LMNA
SCHEMBL7639781 1.00 OPRM1 (0.55) OPRM1SPHK1MAPTCYP2D6LMNA
SCHEMBL2501718 1.00 OPRM1 (0.55) OPRM1SPHK1MAPTCYP2D6LMNA
Ethane SCHEMBL10523003 0.97 OPRM1 (0.52) OPRM1SPHK1MAPTCYP2D6LMNA
SCHEMBL1315066 0.97
Ethane SCHEMBL10525246 0.94 OPRM1 (0.55) OPRM1SPHK1MAPTCYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117696017-B Blood purification adsorption modified material and preparation method thereof 四川大学华西医院 2024-05-07 CN claimed
CN-117696017-A Blood purification adsorption modified material and preparation method thereof 四川大学华西医院 2024-03-15 CN claimed
CN-117696017-B Blood purification adsorption modified material and preparation method thereof 四川大学华西医院 2024-05-07 CN disclosed
CN-117696017-A Blood purification adsorption modified material and preparation method thereof 四川大学华西医院 2024-03-15 CN disclosed
CN-107209146-B Electrochemical gas sensor and electrolyte for electrochemical gas sensor 德尔格安全股份两合公司 2024-03-12 CN disclosed