SCHEMBL8516335

SCHEMBL8516335

C#Cc1cc(C#C)cc(C23CC4CC(C)(CC(C)(C4)C2)C3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.37
GRIN2A Q12879 6/20 0.37
GRIN2D O15399 5/20 0.37
GRIN3B O60391 5/20 0.37
GRIN2B Q13224 5/20 0.37
GRIN2C Q14957 5/20 0.37
GRIN3A Q8TCU5 5/20 0.37
LMNA P02545 2/20 0.35
SLC22A1 O15245 1/20 0.35
ESR1 P03372 1/20 0.35
ADRB3 P13945 1/20 0.35
ACHE P22303 1/20 0.35
OPRK1 P41145 1/20 0.35
MTOR P42345 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2710984 1.00 GRIN1 (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4058303 0.86 GRIN2D (0.32) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5000910 0.84 EPHX2 (0.40) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8515530 0.81
SCHEMBL2187126 0.80 PGR (0.33) PGR
SCHEMBL2708058 0.79 EPHX2 (0.36) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL2191037 0.77 PGR (0.31) PGR
SCHEMBL2763490 0.77 PGR (0.33) PGR
SCHEMBL2188665 0.77
SCHEMBL6392406 0.76 PGR (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142879-A1 COMPOSITION FOR FILM FORMATION, INSULATING FILM AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE COMPANY LIMITED (JP) 2012-06-07 US disclosed
EP-2457932-A1 COMPOSITION FOR FILM FORMATION, INSULATING FILM, AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Company Limited (JP) 2012-05-30 EP disclosed