SCHEMBL214651

SCHEMBL214651

C=Cc1ccc2c(CC)ccc(Br)c2c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ALDH1A1 P00352 2/20 0.32
ALDH1A3 P47895 2/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ALDH3A1 P30838 1/20 0.30

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
SCHEMBL215805 0.84 TYR (0.35) ALDH1A1TP53TDP1
SCHEMBL214636 0.82 ALDH1A1 (0.43) ESR1ESR2ALDH1A1TP53TDP1
SCHEMBL31335110 0.82 ALDH1A1 (0.43) ESR1ESR2ALDH1A1TP53TDP1
SCHEMBL16957022 0.80 ALDH1A3 (0.40) ALDH1A1ALDH1A3TP53TDP1TRPA1
SCHEMBL16960986 0.80 ALDH1A1 (0.39) ALDH1A1ALDH1A3TP53TDP1TRPA1
SCHEMBL215089 0.77 TP53 (0.38) ESR1ESR2ALDH1A1TP53TDP1
SCHEMBL1362573 0.74 TDP1 (0.45) ESR1ESR2ALDH1A1ALDH1A3TP53
SCHEMBL30767842 0.74 TDP1 (0.45) ESR1ESR2ALDH1A1ALDH1A3TP53
SCHEMBL216068 0.74 TRPA1 (0.44) ESR1ESR2ALDH1A1TRPA1
SCHEMBL215063 0.72 MCL1 (0.43) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1780600-B1 LOWER LAYER FILM FORMING COMPOSITION FOR LITHOGRAPHY INCLUDING NAPHTHALENE RING HAVING HALOGEN ATOM NISSAN CHEMICAL IND LTD (JP) 2014-02-26 EP disclosed
US-8088546-B2 Underlayer coating forming composition for lithography containing naphthalene ring having halogen atom NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-03 US disclosed
CN-1977220-B Lower layer film forming composition for lithography including naphthalene ring having halogen atom NISSAN CHEMICAL IND LTD 2010-12-01 CN disclosed
US-20070238029-A1 Underlayer Coating Forming Composition for Lithography Containing Naphthalene Ring Having Halogen Atom NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-10-11 US disclosed
EP-1780600-A1 LOWER LAYER FILM FORMING COMPOSITION FOR LITHOGRAPHY INCLUDING NAPHTHALENE RING HAVING HALOGEN ATOM Nissan Chemical Industries, Ltd. (JP) 2007-05-02 EP disclosed