SCHEMBL3841852

SCHEMBL3841852

C=Cc1cc(C=C)cc(C23CC4(c5ccccc5)CC(c5ccccc5)(C2)CC(C25CC6(c7ccccc7)CC(c7ccccc7)(CC(c7cc(C=C)cc(C=C)c7)(C6)C2)C5)(C4)C3)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
PNMT P11086 1/20 0.36
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL3844862 0.89 ALDH1A1 (0.36) ALDH1A1
SCHEMBL20695041 0.83 ALDH1A1 (0.52) ALDH1A1TSHRPNMTGRIN2DGRIN3B
SCHEMBL3843185 0.83 RELA (0.39) PNMTMAOAMAOB
SCHEMBL3843187 0.83 RELA (0.39) PNMTMAOAMAOB
SCHEMBL3845999 0.80 CYP3A4 (0.37) ALDH1A1TSHRPNMTGRIN2DGRIN3B
SCHEMBL3846003 0.80 CYP3A4 (0.37) ALDH1A1TSHRPNMTGRIN2DGRIN3B
SCHEMBL2710992 0.79 PNMT (0.46) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3841022 0.79 RELA (0.41) ALDH1A1MAOAMAOB
SCHEMBL3841019 0.79 RELA (0.41) ALDH1A1MAOAMAOB
SCHEMBL3849547 0.77

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-20090318610-A1 ORGANIC INSULATING MATERIALS, VARNISHES FOR ORGANIC INSULATING FILM EMPLOYING THEM, ORGANIC INSULATING FILMS AND SEMICONDUCTOR DEVICES SUMITOMO BAKELITE CO., LTD (JP) 2009-12-24 US disclosed
EP-2117009-A1 ORGANIC INSULATING MATERIAL, VARNISH FOR ORGANIC INSULATING FILM USING THE SAME, ORGANIC INSULATING FILM AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Co., Ltd. (JP) 2009-11-11 EP disclosed