SCHEMBL6284836

SCHEMBL6284836

C=Cc1ccc(CCC(C)c2ccc(C=C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ADRB2 P07550 4/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
LMNA P02545 3/20 0.33
HIF1A Q16665 3/20 0.33
SLC6A2 P23975 3/20 0.33
OPRM1 P35372 3/20 0.33
CYP2D6 P10635 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRA1A P35348 2/20 0.33
OPRK1 P41145 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A4 P31645 2/20 0.33
GALR3 O60755 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
TSHR P16473 2/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL5034577 0.82 ALDH1A1 (0.46) ALDH1A1ADRB2TAS1R3TAS1R1HDAC8
SCHEMBL2638242 0.81 ALDH1A1 (0.44) ALDH1A1ADRB2TAS1R3TAS1R1OPRK1
SCHEMBL5024850 0.81 TAS1R3 (0.46) ALDH1A1ESR1ESR2TAS1R3TAS1R1
SCHEMBL6281654 0.81 ESR1 (0.57) ALDH1A1ESR1ESR2TAS1R3TAS1R1
SCHEMBL5203081 0.79 ALDH1A1 (0.42) ALDH1A1ESR1ESR2TAS1R3TAS1R1
SCHEMBL28390815 0.79 ALDH1A1 (0.42) ALDH1A1ADRB2TAS1R3TAS1R1LMNA
SCHEMBL2778094 0.78 ALDH1A1 (0.41) ALDH1A1ADRB2TAS1R3TAS1R1HDAC8
SCHEMBL5034599 0.78 ALDH1A1 (0.41) ALDH1A1ADRB2TAS1R3TAS1R1HDAC8
SCHEMBL383658 0.76 ALDH1A1 (0.39) ALDH1A1ESR1ESR2TAS1R3TAS1R1
SCHEMBL9717972 0.76 TAS1R3 (0.40) ALDH1A1ADRB2TAS1R3TAS1R1OPRM1

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