SCHEMBL27468872

SCHEMBL27468872

CC1(C)OC=C(c2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.57
DRD2 P14416 12/20 0.51
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49

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
SCHEMBL7829503 0.81 SIGMAR1 (0.40) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL8700031 0.79 SIGMAR1 (0.53) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL7829992 0.79 SIGMAR1 (0.47) SIGMAR1DRD2
SCHEMBL7832946 0.79 CYP2A6 (0.44) SIGMAR1
SCHEMBL28042699 0.78 BACE1 (0.50) SIGMAR1DRD2
SCHEMBL9235508 0.74 SIGMAR1 (0.47) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL357523 0.72 SIGMAR1 (0.49) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL8905733 0.72 SIGMAR1 (0.51) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL6993020 0.68 RARA (0.43) SIGMAR1DRD2
SCHEMBL37303 0.67 CFTR (0.44) SIGMAR1DRD2GRIN2DGRIN3BGRIN1

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-1166658-C 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors ��ʽ����̫ƽ�� 2004-09-15 CN disclosed
CN-1348447-A 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2002-05-08 CN disclosed