SCHEMBL893003

SCHEMBL893003

Cc1cc(-c2cc(C)c(CBr)c(C)c2)cc(C)c1CBr

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HTR1D P28221 2/20 0.31
HTR1B P28222 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ERBB2 P04626 1/20 0.31
PGK1 P00558 1/20 0.30
PGK2 P07205 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
SCHEMBL585059 0.82 HRH3 (0.40) ALDH1A1TSHRTDP1TP53CA1
SCHEMBL21749452 0.80 HTR1D (0.41) ALDH1A1CA1CA2HTR1DHTR1B
SCHEMBL16670956 0.80 TRPA1 (0.33) ALDH1A1TSHRHTR1DHTR1B
SCHEMBL17648045 0.80 HRH3 (0.39) ALDH1A1TSHRCA1CA2HTR1D
SCHEMBL6354293 0.78 TSHR (0.35) CYP3A4TSHR
SCHEMBL954081 0.78 RAPGEF4 (0.35)
SCHEMBL3255153 0.77 PGK1 (0.44) CYP3A4TSHRHTR1DPGK1PGK2
SCHEMBL381186 0.72 TTR (0.37) ALDH1A1
SCHEMBL7945820 0.72 PGK1 (0.37) CYP3A4TSHRPGK1PGK2
SCHEMBL1072053 0.71 CYP2A6 (0.43) ALDH1A1TSHRTDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289187-A1 RESIN COMPOSITION FOR ENCAPSULATION AND ELECTRONIC COMPONENT DEVICE SUMITOMO BAKELITE COMPANY LIMITED (JP) 2013-10-31 US disclosed
US-8502399-B2 Resin composition for encapsulating semiconductor and semiconductor device SUMITOMO BAKELITE CO., LTD. (JP) 2013-08-06 US disclosed
US-20120080809-A1 RESIN COMPOSITION FOR ENCAPSULATING SEMICONDUCTOR AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2012-04-05 US disclosed