SCHEMBL7423338

SCHEMBL7423338

CC12CC3CC(C)(C1)CC(O[C]=O)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.42
GRIN2A Q12879 6/20 0.42
GRIN2D O15399 5/20 0.42
GRIN3B O60391 5/20 0.42
GRIN2B Q13224 5/20 0.42
GRIN2C Q14957 5/20 0.42
GRIN3A Q8TCU5 5/20 0.42
LMNA P02545 2/20 0.42
SLC22A1 O15245 1/20 0.42
ESR1 P03372 1/20 0.42
ADRB3 P13945 1/20 0.42
ACHE P22303 1/20 0.42
OPRK1 P41145 1/20 0.42
MTOR P42345 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 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
SCHEMBL27976296 0.74 GRIN1 (0.48) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4751452 0.72 GRIN1 (0.52) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL812216 0.72 GRIN1 (0.68) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL3162219 0.72 GRIN1 (0.42) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5608473 0.71 MEN1 (0.41) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Ammonia Solution, Strong SCHEMBL14695768 0.69 GRIN1 (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8863 0.69 NPSR1 (0.43) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL7132183 0.68 GRIN1 (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL3843162 0.68 GRIN1 (0.38) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4807168 0.68 GRIN1 (0.42) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760002-A ANALGESICS THE PROCTOR & GAMBLE COMPANY (US) 1998-06-02 US claimed
EP-0675901-A1 DIFLUORO-PENTAPEPTIDE DERIVATIVE ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1995-10-11 EP claimed
WO-1994014842-A1 DIFLUORO-PENTAPEPTIDE DERIVATIVE ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1994-07-07 WO claimed
WO-1993008211-A1 TRIPEPTIDE DERIVATIVE ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1993-04-29 WO claimed
US-5760002-A ANALGESICS THE PROCTOR & GAMBLE COMPANY (US) 1998-06-02 US disclosed
EP-0675901-A1 DIFLUORO-PENTAPEPTIDE DERIVATIVE ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1995-10-11 EP disclosed
WO-1994014842-A1 DIFLUORO-PENTAPEPTIDE DERIVATIVE ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1994-07-07 WO disclosed