SCHEMBL6284370

SCHEMBL6284370

C=Cc1cccc(CCc2cccc(C=C)c2C)c1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ESR2 Q92731 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
ESR1 P03372 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
SCHEMBL6280044 0.94 ALDH1A1 (0.38) ALDH1A1TP53TDP1ESR2MEN1
SCHEMBL16951878 0.90 ALDH1A1 (0.33) ALDH1A1TP53TDP1ESR2MEN1
SCHEMBL20455557 0.87 CYP3A4 (0.37)
SCHEMBL110775 0.85 GABRA1 (0.41) ALDH1A1TP53TDP1ESR2MEN1
SCHEMBL10900301 0.84 LIPG (0.45)
SCHEMBL8680174 0.84 LIPG (0.45)
SCHEMBL16950434 0.83 PDCD1 (0.48) ALDH1A1TP53TDP1ESR2MEN1
SCHEMBL627746 0.83 GABRA1 (0.46) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL22745037 0.83 PNMT (0.38) ALDH1A1TP53TDP1ESR2MEN1
SCHEMBL809914 0.83 ALDH1A1 (0.39) ALDH1A1TP53TDP1ESR2MEN1

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-6855952-B2 Semiconductor device and semiconductor package HITACHI, LTD. (JP) 2005-02-15 US disclosed
US-20040038021-A1 Semiconductor device and semiconductor package HITACHI, LTD. (JP) 2004-02-26 US disclosed