SCHEMBL3907879

SCHEMBL3907879

c1ccc(C2=C(c3ccc4ccc5cccc6ccc3c4c56)C3CCC2C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.37
ACHE P22303 2/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
AHR P35869 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
THRB P10828 1/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A3 Q01959 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
POLB P06746 3/20 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
SCHEMBL3900801 0.81 KDM4E (0.44) ACHEALDH1A1HPGDHSD17B10TSHR
SCHEMBL29789609 0.75 ALDH1A1 (0.50) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL359994 0.75 ALDH1A1 (0.50) CYP1A2ACHEERBB2FYNMAOA
Benzene SCHEMBL27999683 0.75 ALDH1A1 (0.50) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL28840215 0.75 ALDH1A1 (0.50) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL3902761 0.75 PTGS2 (0.43) ALDH1A1SLC6A3CHRNB2CHRNA4PTGS2
SCHEMBL6387948 0.72 CYP1A2 (0.47) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL31330199 0.71 ALDH1A1 (0.46) CYP1A2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL28424048 0.71 ALDH1A1 (0.46) CYP1A2ACHEERBB2FYNMAOA
SCHEMBL23109382 0.69 CYP1A2 (0.48) CYP1A2ACHEERBB2FYNMAOA

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-7550546-B2 Norbornene-based polymers, films, polarizing plates and liquid crystal display devices FUJIFILM CORPORATION (JP) 2009-06-23 US disclosed
US-20080033133-A1 NORBORNENE-BASED POLYMERS, FILMS, POLARIZING PLATES AND LIQUID CRYSTAL DISPLAY DEVICES FUJIFILM CORPORATION (JP) 2008-02-07 US disclosed