SCHEMBL9115347

SCHEMBL9115347

C[C@@H]1C2CC3C[C@H]1C[C@@](C)(C3)C2

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
SLC22A1 O15245 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
ESR1 P03372 1/20 0.31
ADRB3 P13945 1/20 0.31
ACHE P22303 1/20 0.31
OPRK1 P41145 1/20 0.31
MTOR P42345 1/20 0.31
HTT P42858 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 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
SCHEMBL9115343 1.00 LMNA (0.31) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL2545728 1.00 LMNA (0.31) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL12093018 0.77 LMNA (0.34) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL3294503 0.77 LMNA (0.34) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL13459380 0.77 LMNA (0.34) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL24064288 0.77 CYP2C9 (0.43) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL10297354 0.77 LMNA (0.34) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL14942866 0.77 SLC22A1 (0.30) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL3361 0.76 GRIN1 (0.45) LMNAGRIN1GRIN2ASLC22A1GRIN2D
SCHEMBL453075 0.76 GRIN1 (0.45) LMNAGRIN1GRIN2ASLC22A1GRIN2D

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-117007725-A Column chromatography sample online concentration device, method and application 大庆油田有限责任公司 2023-11-07 CN disclosed
WO-1995011286-A1 DEPOSIT CONTROL ADDITIVES AND FUEL COMPOSITIONS CONTAINING THE SAME MOBIL OIL CORPORATION (US) 1995-04-27 WO disclosed
US-5334228-A Detergent and carrier fluid of adamantane or di-, tri-, or tetramantane derivative MOBIL OIL CORPORATION (US) 1994-08-02 US disclosed